Search results for: Energies
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 108

Search results for: Energies

108 Further Investigation of Elastic Scattering of 16O on 12C at Different Energies

Authors: Sh. Hamada, N. Burtebayev, N. Amangeldi, A. Amar

Abstract:

The aim of this work is to study the elastic transfer phenomenon which takes place in the elastic scattering of 16O on 12C at energies near the Coulomb barrier. Where, the angular distribution decrease steadily with increasing the scattering angle, then the cross section will increase at backward angles due to the α-transfer process. This reaction was also studied at different energies for tracking the nuclear rainbow phenomenon. The experimental data of the angular distribution at these energies were compared to the calculation predictions. The optical potential codes such as SPIVAL and Distorted Wave Born Approximation (DWUCK5) were used in analysis.

Keywords: Transfer reaction, DWBA, Elastic Scattering, Optical Potential Codes.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1357
107 Prediction of Binding Free Energies for Dyes Removal Using Computational Chemistry

Authors: R. Chanajaree, D. Luanwiset, K. Pongpratea

Abstract:

Dye removal is an environmental concern because the textile industries have been increasing by world population and industrialization. Adsorption is the technique to find adsorbents to remove dyes from wastewater. This method is low-cost and effective for dye removal. This work tries to develop effective adsorbents using the computational approach because it will be able to predict the possibility of the adsorbents for specific dyes in terms of binding free energies. The computational approach is faster and cheaper than the experimental approach in case of finding the best adsorbents. All starting structures of dyes and adsorbents are optimized by quantum calculation. The complexes between dyes and adsorbents are generated by the docking method. The obtained binding free energies from docking are compared to binding free energies from the experimental data. The calculated energies can be ranked as same as the experimental results. In addition, this work also shows the possible orientation of the complexes. This work used two experimental groups of the complexes of the dyes and adsorbents. In the first group, there are chitosan (adsorbent) and two dyes (reactive red (RR) and direct sun yellow (DY)). In the second group, there are poly(1,2-epoxy-3-phenoxy) propane (PEPP), which is the adsorbent, and 2 dyes of bromocresol green (BCG) and alizarin yellow (AY).

Keywords: Dye removal, binding free energies, quantum calculation, docking.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 719
106 Renewable Energies in Spain and Portugal: A Strategic Challenge for the Sustainability

Authors: María Teresa García-Álvarez, Isabel Soares, Rosa María Mariz-Pérez

Abstract:

Directive 2009/28/CE establishes, as obligatory objective, a share of renewable energies on energetic consumption of 20%, in European Union, in 2020 However, such European normative gives freedom to member states in the selection of the renewable promotion mechanism that allows them to obtain that objective. In this paper, we analyze the main characteristics of the promotion mechanisms of renewable energy used in the countries that shape the Electricity Iberian Market (Spain and Portugal) and the results in employment. The importance of these countries is given by the great increasing of the renewable energies which suppose a share higher than 30% of the overall generation in 2010. Therefore, this research paper can serve as the basis for the learning of other countries with regard to the main advantages that entail the use of a feed-in tariff system.

Keywords: Employment, Energy policy, Professional profiles, Renewable energies, Professional profiles.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1941
105 Temperature Dependent Interaction Energies among X (=Ru, Rh) Impurities in Pd-Rich PdX Alloys

Authors: M. Asato, C. Liu, N. Fujima, T. Hoshino, Y. Chen, T. Mohri

Abstract:

We study the temperature dependence of the interaction energies (IEs) of X (=Ru, Rh) impurities in Pd, due to the Fermi-Dirac (FD) distribution and the thermal vibration effect by the Debye-Grüneisen model. The n-body (n=2~4) IEs among X impurities in Pd, being used to calculate the internal energies in the free energies of the Pd-rich PdX alloys, are determined uniquely and successively from the lower-order to higher-order, by the full-potential Korringa-Kohn-Rostoker Green’s function method (FPKKR), combined with the generalized gradient approximation in the density functional theory. We found that the temperature dependence of IEs due to the FD distribution, being usually neglected, is very important to reproduce the X-concentration dependence of the observed solvus temperatures of the Pd-rich PdX (X=Ru, Rh) alloys.

Keywords: Full-potential KKR-Green’s function method, Fermi-Dirac distribution, GGA, phase diagram of Pd-rich PdX (X=Ru, Rh) alloys, thermal vibration effect.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1003
104 Description of Kinetics of Propane Fragmentation with a Support of Ab Initio Simulation

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

Abstract:

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

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

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1894
103 Computational Studies of Binding Energies and Structures of Methylamine on Functionalized Activated Carbon Surfaces

Authors: R. C. J. Mphahlele, K. Bolton, H. Kasaini

Abstract:

Empirical force fields and density functional theory (DFT) was used to study the binding energies and structures of methylamine on the surface of activated carbons (ACs). This is a first step in studying the adsorption of alkyl amines on the surface of functionalized ACs. The force fields used were Dreiding (DFF), Universal (UFF) and Compass (CFF) models. The generalized gradient approximation with Perdew Wang 91 (PW91) functional was used for DFT calculations. In addition to obtaining the aminecarboxylic acid adsorption energies, the results were used to establish reliability of the empirical models for these systems. CFF predicted a binding energy of -9.227 (kcal/mol) which agreed with PW91 at - 13.17 (kcal/mol), compared to DFF 0 (kcal/mol) and UFF -0.72 (kcal/mol). However, the CFF binding energies for the amine to ester and ketone disagreed with PW91 results. The structures obtained from all models agreed with PW91 results.

Keywords: Activated Carbons, Binding energy, DFT, Force fields.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1953
102 Analysis of the Elastic Scattering of 12C on 11B at Energy near Coulomb Barrier Using Different Optical Potential Codes

Authors: Sh. Hamada, N. Burtebayev, A. Amar, N. Amangieldy

Abstract:

the aim of that work is to study the proton transfer phenomenon which takes place in the elastic scattering of 12C on 11B at energies near the coulomb barrier. This reaction was studied at four different energies 16, 18, 22, 24 MeV. The experimental data of the angular distribution at these energies were compared to the calculation prediction using the optical potential codes such as ECIS88 and SPIVAL. For the raising in the cross section at backward angles due to the transfer process we could use Distorted Wave Born Approximation (DWUCK5). Our analysis showed that SPIVAL code with l-dependent imaginary potential could be used effectively.

Keywords: Transfer reaction, DWBA, Elastic Scattering, Optical Potential Codes.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1385
101 Native Point Defects in ZnO

Authors: A. M. Gsiea, J. P. Goss, P. R. Briddon, Ramadan. M. Al-habashi, K. M. Etmimi, Khaled. A. S. Marghani

Abstract:

Using first-principles methods based on density functional theory and pseudopotentials, we have performed a details study of native defects in ZnO. Native point defects are unlikely to be cause of the unintentional n-type conductivity. Oxygen vacancies, which considered most often been invoked as shallow donors, have high formation energies in n-type ZnO, in edition are a deep donors. Zinc interstitials are shallow donors, with high formation energies in n-type ZnO, and thus unlikely to be responsible on their own for unintentional n-type conductivity under equilibrium conditions, as well as Zn antisites which have higher formation energies than zinc interstitials. Zinc vacancies are deep acceptors with low formation energies for n-type and in which case they will not play role in p-type coductivity of ZnO. Oxygen interstitials are stable in the form of electrically inactive split interstitials as well as deep acceptors at the octahedral interstitial site under n-type conditions. Our results may provide a guide to experimental studies of point defects in ZnO.

Keywords: DFT, Native, n-Type, ZnO.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4547
100 Procedure Model for Data-Driven Decision Support Regarding the Integration of Renewable Energies into Industrial Energy Management

Authors: M. Graus, K. Westhoff, X. Xu

Abstract:

The climate change causes a change in all aspects of society. While the expansion of renewable energies proceeds, industry could not be convinced based on general studies about the potential of demand side management to reinforce smart grid considerations in their operational business. In this article, a procedure model for a case-specific data-driven decision support for industrial energy management based on a holistic data analytics approach is presented. The model is executed on the example of the strategic decision problem, to integrate the aspect of renewable energies into industrial energy management. This question is induced due to considerations of changing the electricity contract model from a standard rate to volatile energy prices corresponding to the energy spot market which is increasingly more affected by renewable energies. The procedure model corresponds to a data analytics process consisting on a data model, analysis, simulation and optimization step. This procedure will help to quantify the potentials of sustainable production concepts based on the data from a factory. The model is validated with data from a printer in analogy to a simple production machine. The overall goal is to establish smart grid principles for industry via the transformation from knowledge-driven to data-driven decisions within manufacturing companies.

Keywords: Data analytics, green production, industrial energy management, optimization, renewable energies, simulation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1736
99 A Power Conversion System using the Renewable Energies for HEV Charger

Authors: Jin-Hong Kim, Joon Sung Park, Jun-Hyuk Choi, In-Soung Jung

Abstract:

With a development of Hybrid Electric Vehicle(HEV), A photovoltaic(PV) generation system is used for charging batteries in many cases. A dc/dc converter using PV power for a battery charger requires a high efficiency. In this paper, A ZVS boost converter using the renewable energies for HEV charger is proposed. Through the theoretical analysis and experimental result, operation modes and characteristics of the proposed topology are verified.

Keywords: HEV, EV, charger, resonant

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1718
98 Analysis of P, d and 3He Elastically Scattered by 11B Nuclei at Different Energies

Authors: Ahmed H. Amer, A. Amar, Sh. Hamada, I. I. Bondouk

Abstract:

Elastic scattering of Protons and deuterons from 11B nuclei at different p, d energies have been analyzed within the framework of optical model code (ECIS88). The elastic scattering of 3He+11B nuclear system at different 3He energies have been analyzed using double folding model code (FRESCO). The real potential obtained from the folding model was supplemented by a phenomenological imaginary potential, and during the fitting process the real potential was normalized and the imaginary potential optimized. Volumetric integrals of the real and imaginary potential depths (JR, JW) have been calculated for 3He+11B system. The agreement between the experimental data and the theoretical calculations in the whole angular range is fairly good. Normalization factor Nr is calculated in the range between 0.70 and 1.236.

Keywords: Elastic scattering, optical model parameters, double folding model, nuclear density distribution.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1266
97 On Detour Spectra of Some Graphs

Authors: S.K.Ayyaswamy, S.Balachandran

Abstract:

The Detour matrix (DD) of a graph has for its ( i , j) entry the length of the longest path between vertices i and j. The DD-eigenvalues of a connected graph G are the eigenvalues for its detour matrix, and they form the DD-spectrum of G. The DD-energy EDD of the graph G is the sum of the absolute values of its DDeigenvalues. Two connected graphs are said to be DD- equienergetic if they have equal DD-energies. In this paper, the DD- spectra of a variety of graphs and their DD-energies are calculated.

Keywords: Detour eigenvalue (of a graph), detour spectrum(of a graph), detour energy(of a graph), detour - equienergetic graphs.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1515
96 Optical and Double Folding Model Analysis for Alpha Particles Elastically Scattered from 9Be and 11B Nuclei at Different Energies

Authors: Ahmed H. Amer, A. Amar, Sh. Hamada, I. I. Bondouk, F. A. El-Hussiny

Abstract:

Elastic scattering of α-particles from 9Be and 11B nuclei at different alpha energies have been analyzed. Optical model parameters (OMPs) of α-particles elastic scattering by these nuclei at different energies have been obtained. In the present calculations, the real part of the optical potential are derived by folding of nucleonnucleon (NN) interaction into nuclear matter density distribution of the projectile and target nuclei using computer code FRESCO. A density-dependent version of the M3Y interaction (CDM3Y6), which is based on the G-matrix elements of the Paris NN potential, has been used. Volumetric integrals of the real and imaginary potential depth (JR, JW) have been calculated and found to be energy dependent. Good agreement between the experimental data and the theoretical predictions in the whole angular range. In double folding (DF) calculations, the obtained normalization coefficient Nr is in the range 0.70–1.32.

Keywords: Elastic scattering of α-particles, optical model parameters, double folding model, nucleon-nucleon interaction.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2195
95 Analysis of Climatic Strategies in Designing the Residential Buildings in Cold Dry Climate of Tabriz Metropolis to Reduce Air Pollution in Urban Environment

Authors: Shahryar Shaghaghi G., Paria Violette Shakiba , Gholamreza Irani

Abstract:

Nowadays, the earth is countered with serious problem of air pollution. This problem has been started from the industrial revolution and has been faster in recent years, so that leads the earth to ecological and environmental disaster. One of its results is the global warming problem and its related increase in global temperature. The most important factors in air pollution especially in urban environments are Automobiles and residential buildings that are the biggest consumers of the fossil energies, so that if the residential buildings as a big part of the consumers of such energies reduce their consumption rate, the air pollution will be decreased. Since Metropolises are the main centers of air pollution in the world, assessment and analysis of efficient strategies in decreasing air pollution in such cities, can lead to the desirable and suitable results and can solve the problem at least in critical level. Tabriz city is one of the most important metropolises in North west of Iran that about two million people are living there. for its situation in cold dry climate, has a high rate of fossil energies consumption that make air pollution in its urban environment. These two factors, being both metropolis and in cold dry climate, make this article try to analyze the strategies of climatic design in old districts of the city and use them in new districts of the future. These strategies can be used in this city and other similar cities and pave the way to reduce energy consumption and related air pollution to save whole world.

Keywords: Air pollution, Urban Environment, Metropolis, Residential building, Fossil energies.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1785
94 A Study on Cancer-Cell Invasion Based On the Diffuse Interface Model

Authors: Zhang Linan, Jihwan Song, Dongchoul Kim

Abstract:

In this study, a three-dimensional haptotaxis model to simulate the migration of a population of cancer cells has been proposed. The invasion of cancer cells is related with the hapto-attractant and the effect of the interface energies between the cells and the ECM. The diffuse interface model, which incorporates the haptotaxis mechanism and interface energies, is employed. The semi-implicit Fourier spectral scheme is adopted for efficient evaluation of the simulation. The simulation results thoroughly reveal the dynamics of cancer-cell migration.

Keywords: Haptotaxis, Cancer Cells, Cell Migration, Interface Energy, Diffuse Interface Model

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1425
93 Modelling of Electron States in Quantum -Wire Systems - Influence of Stochastic Effects on the Confining Potential

Authors: Mikhail Vladimirovich Deryabin, Morten Willatzen

Abstract:

In this work, we address theoretically the influence of red and white Gaussian noise for electronic energies and eigenstates of cylindrically shaped quantum dots. The stochastic effect can be imagined as resulting from crystal-growth statistical fluctuations in the quantum-dot material composition. In particular we obtain analytical expressions for the eigenvalue shifts and electronic envelope functions in the k . p formalism due to stochastic variations in the confining band-edge potential. It is shown that white noise in the band-edge potential leaves electronic properties almost unaffected while red noise may lead to changes in state energies and envelopefunction amplitudes of several percentages. In the latter case, the ensemble-averaged envelope function decays as a function of distance. It is also shown that, in a stochastic system, constant ensembleaveraged envelope functions are the only bounded solutions for the infinite quantum-wire problem and the energy spectrum is completely discrete. In other words, the infinite stochastic quantum wire behaves, ensemble-averaged, as an atom.

Keywords: cylindrical quantum dots, electronic eigen energies, red and white Gaussian noise, ensemble averaging effects.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1530
92 Phenomenological and Semi-microscopic Analysis for Elastic Scattering of Protons on 6,7Li

Authors: A. Amar, N. Burtebayev, Sh. Hamada, Kerimkulov Zhambul, N. Amangieldy

Abstract:

Analysis of the elastic scattering of protons on 6,7Li nuclei has been done in the framework of the optical model at the beam energies up to 50 MeV. Differential cross sections for the 6,7Li + p scattering were measured over the proton laboratory–energy range from 400 to 1050 keV. The elastic scattering of 6,7Li+p data at different proton incident energies have been analyzed using singlefolding model. In each case the real potential obtained from the folding model was supplemented by a phenomenological imaginary potential, and during the fitting process the real potential was normalized and the imaginary potential optimized. Normalization factor NR is calculated in the range between 0.70 and 0.84.

Keywords: scattering of protons on 6, 7Li nuclei, Esis88 Codesingle-folding model, phenomenological.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1375
91 Studying the Environmental Effects of using Biogas Energy in Iran

Authors: Kambiz Tahvildari, Shakila ila Motamedi

Abstract:

Presently and in line with the United Nations (EPA), human thinking system has shifted towards clean fuels so as to maintain a cleaner environment and to save our planet earth. One of the most successful studies in order to achieve new energies includes the use of animal wastes and their organic residues, and the result of these researches has been represented in the form of very simple and cheap methods called biogas technology. Biogas technology has developed a lot in the recent decades; its reason is the high cost of fossil fuels and the greater attention of countries to the environmental pollutions due to the consumption of this kind of fuels. IRAN is ready for the optimized application of renewable energies, having much enriched resources of this kind of energies; so a special place could be considered for it when making programs. The purpose of biogas technology is the recovery of energy and finally the protection of the environment, which is much appropriate for the third world farmers with respect to their technical abilities and economic potentials. Studies show that the production and consumption of biogas is appropriate and economic in IRAN, because of the high amount of waste in the agriculture sector, the significant amount of animal and human excrement production, the great volume of garbage produced and the most important the specific social, climatic and agricultural conditions in IRAN, in order to proceed towards the reduction of pollution due to the use of fossil fuels.

Keywords: Agriculture, Biogas, Energy, Environment.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1785
90 New Investigation of the Exchange Effects Role on the Elastic and Inelastic Scattering of α-Particles on 9Be

Authors: A. Amar, N. Burtebayev, Zh. K. Kerimkulov, M. K. Baktybayev, J. T. Burtebayeva, A. K. Morzabayev, S. K. Sakhiev, N. Saduyev, S. B. Sakuta

Abstract:

Elastic and inelastic scattering of α-particles by 9Be nuclei at different incident energies have been analyzed. Optical model parameters (OMPs) of α-particles elastic scattering by 9Be at different energies have been obtained. Coupled Reaction Channel (CRC) of elastic scattering, inelastic scattering and transfer reaction has been calculated using Fresco Code. The effect of involving CRC calculations on the analysis of differential cross section has been studied. The transfer reaction of (5He) in the reaction 9Be(α,9Be)α has been studied. The spectroscopic factor of 9Be≡α+5He has been extracted.

Keywords: Elastic scattering of α-particles, Optical model parameters, Coupled Reaction Channel, the transfer reaction of (5He), the spectroscopic factor of 9Be≡α+5He.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2954
89 Radiative Reactions Analysis at the Range of Astrophysical Energies

Authors: A. Amar

Abstract:

Analysis of the elastic scattering of protons on 10B nuclei has been done in the framework of the optical model and single folding model at the beam energies up to 17 MeV. We could enhance the optical potential parameters using Esis88 Code, as well as SPI GENOA Code. Linear relationship between volume real potential (V0) and proton energy (Ep) has been obtained. Also, surface imaginary potential WD is proportional to the proton energy (Ep) in the range 0.400 and 17 MeV. The radiative reaction 10B(p,γ)11C has been analyzed using potential model. A comparison between 10B(p,γ)11C and 6Li(p,γ)7Be has been made. Good agreement has been found between theoretical and experimental results in the whole range of energy. The radiative resonance reaction 7Li(p,γ)8Be has been studied.

Keywords: Elastic scattering of protons on 10B nuclei, optical potential parameters, potential model, radiative reaction.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 864
88 Kinetic Study of Thermal Degradation of a Lignin Nanoparticle-Reinforced Phenolic Foam

Authors: Juan C. Domínguez, Belén Del Saz-Orozco, María V. Alonso, Mercedes Oliet, Francisco Rodríguez

Abstract:

In the present study, the kinetics of thermal degradation of a phenolic and lignin reinforced phenolic foams, and the lignin used as reinforcement were studied and the activation energies of their degradation processes were obtained by a DAEM model. The average values for five heating rates of the mean activation energies obtained were: 99.1, 128.2, and 144.0 kJ.mol-1 for the phenolic foam; 109.5, 113.3, and 153.0 kJ.mol-1 for the lignin reinforcement; and 82.1, 106.9, and 124.4 kJ.mol-1 for the lignin reinforced phenolic foam. The standard deviation ranges calculated for each sample were 1.27-8.85, 2.22-12.82, and 3.17-8.11 kJ.mol-1 for the phenolic foam, lignin and the reinforced foam, respectively. The DAEM model showed low mean square errors (<1x10-5), proving that is a suitable model to study the kinetics of thermal degradation of the foams and the reinforcement.

Keywords: Kinetics, lignin, phenolic foam, thermal degradation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1922
87 The Mass Attenuation Coefficients, Effective Atomic Cross Sections, Effective Atomic Numbers and Electron Densities of Some Halides

Authors: Shivalinge Gowda

Abstract:

The total mass attenuation coefficients m/r, of some halides such as, NaCl, KCl, CuCl, NaBr, KBr, RbCl, AgCl, NaI, KI, AgBr, CsI, HgCl2, CdI2 and HgI2 were determined at photon energies 279.2, 320.07, 514.0, 661.6, 1115.5, 1173.2 and 1332.5 keV in a well-collimated narrow beam good geometry set-up using a high resolution, hyper pure germanium detector. The mass attenuation coefficients and the effective atomic cross sections are found to be in good agreement with the XCOM values. From these mass attenuation coefficients, the effective atomic cross sections sa, of the compounds were determined. These effective atomic cross section sa data so obtained are then used to compute the effective atomic numbers Zeff. For this, the interpolation of total attenuation cross-sections of photons of energy E in elements of atomic number Z was performed by using the logarithmic regression analysis of the data measured by the authors and reported earlier for the above said energies along with XCOM data for standard energies. The best-fit coefficients in the photon energy range of 250 to 350 keV, 350 to 500 keV, 500 to 700 keV, 700 to 1000 keV and 1000 to 1500 keV by a piecewise interpolation method were then used to find the Zeff of the compounds with respect to the effective atomic cross section sa from the relation obtained by piece wise interpolation method. Using these Zeff values, the electron densities Nel of halides were also determined. The present Zeff and Nel values of halides are found to be in good agreement with the values calculated from XCOM data and other available published values.

Keywords: Mass attenuation coefficient, atomic cross-section, effective atomic number, electron density.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2122
86 Investigation on Metalosalen Complexes Binding to DNA using Ab Initio Calculations

Authors: M. Jahangiri Lahkani, Gh. Ghassemi, N. Sohrabi, N. Rasooli

Abstract:

Geometry optimizations of metal complexes of Salen(bis(Salicylidene)1,2-ethylenediamine) were carried out at HF and DFT methods employing Lanl2DZ basis set. In this work structural, energies, bond lengths and other physical properties between Mn2+,Cu2+ and Ni2+ ions coordinated by salen–type ligands are examined. All calculations were performed using Gaussian 98W program series. To investigate local aromaticities, NICS were calculated at all centers of rings. The higher the band gap indicating a higher global aromaticity. The possible binding energies have been evaluated. We have evaluated Frequencies and Zero-point energy with freq calculation. The NICS(Nucleous Independent Chemical Shift) Results show Ni(II) complexes are antiaromatic and aromaticites of Mn(II) complexes are larger than Cu(II) complexes. The energy Results show Cu(II) complexes are stability than Mn(II) and Ni(II) complexes.

Keywords: Frequency Calculation, Hartree-Fock (HF), Nucleous Independent Chemical Shift (NICS), Salen(bis(Salicylidene)1, 2-ethylenediamine).

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1624
85 Mathematical Modeling for Continuous Reactive Extrusion of Poly Lactic Acid formation by Ring Opening Polymerization Considering Metal/Organic Catalyst and Alternative Energies

Authors: Satya P. Dubey, Hrushikesh A. Abhyankar, Veronica Marchante, James L. Brighton, Björn Bergmann

Abstract:

PLA emerged as a promising polymer because of its property as a compostable, biodegradable thermoplastic made from renewable sources. PLA can be polymerized from monomers (Lactide or Lactic acid) obtained by fermentation processes from renewable sources such as corn starch or sugarcane. For PLA synthesis, ring opening polymerization (ROP) of Lactide monomer is one of the preferred methods. In the literature, the technique mainly developed for ROP of PLA is based on metal/bimetallic catalyst (Sn, Zn and Al) or other organic catalysts in suitable solvent. However, the PLA synthesized using such catalysts may contain trace elements of the catalyst which may cause toxicity. This work estimated the usefulness and drawbacks of using different catalysts as well as effect of alternative energies and future aspects for PLA production.

Keywords: Alternative energy, bio-degradable, metal catalyst, poly lactic acid (PLA), ring opening polymerization (ROP).

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2798
84 Kinetic Parameter Estimation from Thermogravimetry and Microscale Combustion Calorimetry

Authors: Rhoda Afriyie Mensah, Lin Jiang, Solomon Asante-Okyere, Xu Qiang, Cong Jin

Abstract:

Flammability analysis of extruded polystyrene (XPS) has become crucial due to its utilization as insulation material for energy efficient buildings. Using the Kissinger-Akahira-Sunose and Flynn-Wall-Ozawa methods, the degradation kinetics of two pure XPS from the local market, red and grey ones, were obtained from the results of thermogravity analysis (TG) and microscale combustion calorimetry (MCC) experiments performed under the same heating rates. From the experiments, it was discovered that red XPS released more heat than grey XPS and both materials showed two mass loss stages. Consequently, the kinetic parameters for red XPS were higher than grey XPS. A comparative evaluation of activation energies from MCC and TG showed an insignificant degree of deviation signifying an equivalent apparent activation energy from both methods. However, different activation energy profiles as a result of the different chemical pathways were presented when the dependencies of the activation energies on extent of conversion for TG and MCC were compared.

Keywords: Flammability, microscale combustion calorimetry, thermogravity analysis, thermal degradation, kinetic analysis.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 884
83 The Linkage of Urban and Energy Planning for Sustainable Cities: The Case of Denmark and Germany

Authors: Jens-Phillip Petersen

Abstract:

The reduction of GHG emissions in buildings is a focus area of national energy policies in Europe, because buildings are responsible for a major share of the final energy consumption. It is at local scale where policies to increase the share of renewable energies and energy efficiency measures get implemented. Municipalities, as local authorities and responsible entity for land-use planning, have a direct influence on urban patterns and energy use, which makes them key actors in the transition towards sustainable cities. Hence, synchronizing urban planning with energy planning offers great potential to increase society’s energy-efficiency; this has a high significance to reach GHG-reduction targets. In this paper, the actual linkage of urban planning and energy planning in Denmark and Germany was assessed; substantive barriers preventing their integration and driving factors that lead to successful transitions towards a holistic urban energy planning procedures were identified.

Keywords: Energy planning, urban planning, renewable energies, sustainable cities.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1698
82 The Role of Ionic Strength and Mineral Size to Zeta Potential for the Adhesion of P. putida to Mineral Surfaces

Authors: M. Z. Fathiah, R. G. Edyvean

Abstract:

Electrostatic interaction energy (ΔEEDL) is a part of the Extended Derjaguin-Landau-Verwey-Overbeek (XDLVO) theory, which, together with van der Waals (ΔEVDW) and acid base (ΔEAB) interaction energies, has been extensively used to investigate the initial adhesion of bacteria to surfaces. Electrostatic or electrical double layer interaction energy is considerably affected by surface potential; however it cannot be determined experimentally and is usually replaced by zeta (ζ) potential via electrophoretic mobility. This paper focusses on the effect of ionic concentration as a function of pH and the effect of mineral grain size on ζ potential. It was found that both ionic strength and mineral grain size play a major role in determining the value of ζ potential for the adhesion of P. putida to hematite and quartz surfaces. Higher ζ potential values lead to higher electrostatic interaction energies and eventually to higher total XDLVO interaction energy resulting in bacterial repulsion.

Keywords: XDLVO, Electrostatic interaction energy, zeta potential, P. putida, mineral.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2605
81 Analysis of Nonlinear Pulse Propagation Characteristics in Semiconductor Optical Amplifier for Different Input Pulse Shapes

Authors: Suchi Barua, Narottam Das, Sven Nordholm, Mohammad Razaghi

Abstract:

This paper presents nonlinear pulse propagation characteristics for different input optical pulse shapes with various input pulse energy levels in semiconductor optical amplifiers. For simulation of nonlinear pulse propagation, finite-difference beam propagation method is used to solve the nonlinear Schrödinger equation. In this equation, gain spectrum dynamics, gain saturation are taken into account which depends on carrier depletion, carrier heating, spectral-hole burning, group velocity dispersion, self-phase modulation and two photon absorption. From this analysis, we obtained the output waveforms and spectra for different input pulse shapes as well as for different input energies. It shows clearly that the peak position of the output waveforms are shifted toward the leading edge which due to the gain saturation of the SOA for higher input pulse energies. We also analyzed and compared the normalized difference of full-width at half maximum for different input pulse shapes in the SOA.

Keywords: Finite-difference beam propagation method, pulse shape, pulse propagation, semiconductor optical amplifier.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2370
80 Deformation Mechanisms at Elevated Temperatures: Influence of Momenta and Energy in the Single Impact Test

Authors: Harald Rojacz, Markus Varga, Horst Winkelmann

Abstract:

Within this work High Temperature Single Impact Studies were performed to evaluate deformation mechanisms at different energy and momentum levels. To show the influence of different microstructures and hardness levels and their response to single impacts four different materials were tested at various temperatures up to 700°C. One carbide reinforced NiCrBSi based Metal Matrix Composite and three different steels were tested. The aim of this work is to determine critical energies for fracture appearance and the materials response at different energy and momenta levels. Critical impact loadings were examined at elevated temperatures to limit operating conditions in impact dominated regimes at elevated temperatures. The investigations on the mechanisms were performed using different means of microscopy at the surface and in metallographic cross sections. Results indicate temperature dependence of the occurrence of cracks in hardphase rich materials, such as Metal Matrix Composites High Speed Steels and the influence of different impact momenta at constant energies on the deformation of different steels.

Keywords: Deformation, High Temperature, Metal Matrix Composite, Single Impact Test, Steel.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2002
79 The Project of Three Photovoltaic Systems in an Italian Natural Park

Authors: M.Paroncini, F.Corvaro, G.Nardini, S.Pistolesi

Abstract:

The development of renewable energies - particularly energy from wind, water, solar power and biomass - is a central aim of the European Commission's energy policy. There are several reasons for this choice: renewable energies are sustainable, nonpolluting, widely available and clean. Increasing the share of renewable energy in the energy balance enhances sustainability. It also helps to improve the security of energy supply by reducing the Community's growing dependence on imported energy sources.In this paper it was studied the possibility to realize three photovoltaic systems in the Italian Natural Park “Gola della Rossa e di Frasassi". The first photovoltaic system is a grid-connected system for Services and Documentation Center of Castelletta with a nominal power of about 6 kWp. The second photovoltaic system is a grid-connected integrated system on the ticket office-s roof with a nominal power of about 4 kWp. The third project is set up by five grid-connected systems integrated on the roofs of the bungalows in Natural Park-s tourist camping with a nominal power of about 10 kWp. The electricity which is generated by all these plants is purchased according to the Italian program called “Conto Energia". Economical analysis and the amount of the avoided CO2 emissions are elaborated for these photovoltaic systems.

Keywords: CO2 emissions, conto energia, photovoltaic systems.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1615