Search results for: relative bulk density

Authors: O. Arbouche, Y. Benallou, K. Amara

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We report a first-principles study of structural, electronic and magnetic properties of ternary plumbides (rare earth-transition metal-Plumb) Dy2Ni2Pb crystallizes with the orthorhombic structure of the Mn2AlB2 type (space group Cmmm), were studied by means of the full-relativistic version of the full-potential augmented plane wave plus local orbital method within the frame work of spin-polarized density functional theory (SP-DFT). The electronic exchange-correlation energy is described by generalized gradient approximation (GGA). We have calculated the lattice parameters, bulk modulii and the first pressure derivatives of the bulk modulii, total densities of states and magnetic properties. The calculated total magnetic moment is found to be equal to 9.52 μB.

Keywords: spin-polarized, magnetic properties, Dy2Ni2Pb, Density functional theory

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Authors: Hamed Yaghoubi, Esmaeil Salahi, Fateme Taati

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The effective shear and bulk viscosity, as well as dynamic viscosity, describe the rheological properties of the ceramic body during the liquid phase sintering process. The rheological parameters depend on the physical and thermomechanical characteristics of the material such as relative density, temperature, grain size, and diffusion coefficient and activation energy. The main goal of this research is to acquire a comprehensive understanding of the response of an incompressible viscose ceramic material during liquid phase sintering process such as stress-strain relations, sintering and hydrostatic stress, the prediction of anisotropic shrinkage and heterogeneous densification as a function of sintering time by including the simultaneous influence of gravity field, and frictional force. After raw materials analysis, the standard hard porcelain mixture as a ceramic body was designed and prepared. Three different experimental configurations were designed including midpoint deflection, sinter bending, and free sintering samples. The numerical method for the ceramic specimens during the liquid phase sintering process are implemented in the CREEP user subroutine code in ABAQUS. The numerical-experimental procedure shows the anisotropic behavior, the complete difference in spatial displacement through three directions, the incompressibility for ceramic samples during the sintering process. The anisotropic shrinkage factor has been proposed to investigate the shrinkage anisotropy. It has been shown that the shrinkage along the normal axis of casting sample is about 1.5 times larger than that of casting direction, the gravitational force in pyroplastic deformation intensifies the shrinkage anisotropy more than the free sintering sample. The lowest and greatest equivalent creep strain occurs at the intermediate zone and around the central line of the midpoint distorted sample, respectively. In the sinter bending test sample, the equivalent creep strain approaches to the maximum near the contact area with refractory support. The inhomogeneity in Von-Misses, pressure, and principal stress intensifies the relative density non-uniformity in all samples, except in free sintering one. The symmetrical distribution of stress around the center of free sintering sample, cause to hinder the pyroplastic deformations. Densification results confirmed that the effective bulk viscosity was well-defined with relative density values. The stress analysis confirmed that the sintering stress is more than the hydrostatic stress from start to end of sintering time so, from both theoretically and experimentally point of view, the sintering process occurs completely.

Keywords: anisotropic shrinkage, ceramic material, liquid phase sintering process, rheological properties, numerical-experimental procedure

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Authors: Hamza Rekab Djabri, Salah Daoud

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The present paper deals with the computational of structural and electronic properties of ThC and ThN compounds using density functional theory within generalized-gradient (GGA) apraximation and local density approximation (LDA). We employ the full potential linear muffin-tin orbitals (FP-LMTO) as implemented in the Lmtart code. We have used to examine structure parameter in eight different structures such as in NaCl (B1), CsCl (B2), ZB (B3), NiAs (B8), PbO (B10), Wurtzite (B4) , HCP (A3) βSn (A5) structures . The equilibrium lattice parameter, bulk modulus, and its pressure derivative were presented for all calculated phases. The calculated ground state properties are in good agreement with available experimental and theoretical results.

Keywords: DFT, GGA, LDA, properties structurales, ThC, ThN

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Authors: Patel Himeshkumar Ashokbhai, Suchit Sharma, Arvind Kumar Garg

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The results obtained from settling test of coal fines are used as an important tool to select the dewatering equipment such as thickeners, centrifuges and filters. Coal being hydrophobic in nature does not easily settle when mixed with water. Coal slurry that takes longer time to release water is highly undesirable because it poses additional challenge during sedimentation, centrifuge and filtration. If filter cake has higher than permitted moisture content then it not only creates handling problems but inflated freight costs and reduction in input and productivity for coke oven charges. It is to be noted that coal fines drastically increase moisture percentage in filter cake hence are to be minimized. To increase settling rate of coal fines in slurry chemical substances called flocculants or coagulants are added that cause coal particles to flocculate or coalesce into larger particles. These larger particles settle at faster rate and have higher settling velocity. Other important factors affecting settling rate are flocculent dosage, slurry or pulp density and particle size. Hence in this paper we tried to study the settling characteristic of clean coal fines by varying one of the four factors namely 1. Flocculant Dosage (acryl-amide) 2. pH of the water 3. Bulk density 4. Particle size of clean coal fines in settling experiment and drew important conclusions. Result of this paper will be much useful not only for coal beneficiation plant design but also for cost reduction of coke production facilities.

Keywords: bulk density, coal fines, flocculants, flocculation, settling velocity, pH

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Authors: H. Baltache, M. El Amine. Monir, R. Khenata, D. Rached, T. Seddik

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The first principles calculations based on the density functional theory (DFT) by using the full-potential linearized augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) in order to investigate the structural and electronic properties of Cd1-xVxS alloy at x = 0.25 in zincblende structure. For the structural properties, we have calculated the equilibrium lattice parameters, such as lattice constant, bulk modulus and first pressure derivatives of the bulk modulus. From the electronic structure, we obtain that Cd0.75V0.25S alloy is nearly half-metallic. The analysis of the density of states (DOS) curves allow to evaluate the spin-exchange splitting energies Δx(d) and Δx(pd) that are generated by V-3d states, where the effective potential for spin-down case is attractive than for spin-up case. Calculations of the exchange constants N0α (valence band) and N0β (conduction band) are served to describe the magnetic behavior of the compounds.

Keywords: first-principles calculations, structural properties, electronic properties

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Authors: Javad Shamsi Soosahab, Reza Ziaie Moayed

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The compressive and tensile bearing capacity of helical piles in sand is investigated by means of numerical modeling. The analyses are carried out using two-dimensional finite-element software, Optum G2. The load–displacement behavior under compression and tension is compared in different relative densities for constant and various elastic modulus. The criterion used to find the ultimate axial load is the load corresponding to 5% of the helical diameter. The results show that relative density of sand plays an essential role in the response of ultimate capacities towards various condition. Increase in elastic modulus with depth is found to play a relatively more significant role to the increase in ultimate compressive load capacities, however tension bearing capacity decreases.

Keywords: helical piles, Optum G2, relative density, constant and various elastic modulus

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Authors: Tarek Sabri Duzan

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Knowledge of the magnitude of Geo-pressures (Pore, Fracture & Over-burden pressures) is vital especially during drilling, completions, stimulations, Enhance Oil Recovery. Many times problems, like lost circulation could have been avoided if techniques for calculating Geo-pressures had been employed in the well planning, mud weight plan, and casing design. In this paper, we focused on the relationships between Geo-pressures and wave velocities (P-Wave (Vp) and S-wave (Vs)) in shallow Libyan carbonate reservoir in the western part of the Sirte Basin (Dahra F-Area). The data used in this report was collected from four new wells recently drilled. Those wells were scattered throughout the interested reservoir as shown in figure-1. The data used in this work are bulk density, Formation Mult -Tester (FMT) results and Acoustic wave velocities. Furthermore, Eaton Method is the most common equation used in the world, therefore this equation has been used to calculate Fracture pressure for all wells using dynamic Poisson ratio calculated by using acoustic wave velocities, FMT results for pore pressure, Overburden pressure estimated by using bulk density. Upon data analysis, it has been found that there is a linear relationship between Geo-pressures (Pore, Fracture & Over-Burden pressures) and wave velocities ratio (Vp/Vs). However, the relationship was not clear in the high-pressure area, as shown in figure-10. Therefore, it is recommended to use the output relationship utilizing the new seismic data for shallow carbonate reservoir to predict the Geo-pressures for future oil operations. More data can be collected from the high-pressure zone to investigate more about this area.

Keywords: bulk density, formation mult-tester (FMT) results, acoustic wave, carbonate shalow reservoir, d/jfield velocities

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Authors: Segun S. Bodunde

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In Bona Field, Niger Delta, two reservoirs across three wells were analyzed. The research aimed at determining the statistical dependence of permeability and oil volume in place on porosity logs. Of the three popular porosity logs, two were used; the sonic and density logs. The objectives of the research were to identify the porosity logs that vary more with location and direction, to visualize the depth trend of both logs and to determine the influence of these logs on pore connectivity determination and volumetric analysis. The focus was on density and sonic logs. It was observed that the sonic derived porosities were higher than the density derived porosities (in well two, across the two reservoir sands, sonic porosity averaged 30.8% while density derived porosity averaged 23.65%, and the same trend was observed in other wells.). The sonic logs were further observed to have lower co-efficient of variation when compared to the density logs (in sand A, well 2, sonic derived porosity had a co-efficient of variation of 12.15% compared to 22.52% from the density logs) indicating a lower tendency to vary with location and direction. The bulk density was observed to increase with depth while the transit time reduced with depth. It was also observed that for an 8.87% decrease in porosity, the pore connectivity was observed to decrease by about 38%.

Keywords: pore connectivity, co-efficient of variation, density derived porosity, sonic derived porosity

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Authors: Alper Taner, Yesim Benal Oztekin, Huseyin Duran

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In this study, an Artificial Neural Network (ANN) was developed in order to classify barley varieties. For this purpose, physical properties of barley varieties were determined and ANN techniques were used. The physical properties of 8 barley varieties grown in Turkey, namely thousand kernel weight, geometric mean diameter, sphericity, kernel volume, surface area, bulk density, true density, porosity and colour parameters of grain, were determined and it was found that these properties were statistically significant with respect to varieties. As ANN model, three models, N-l, N-2 and N-3 were constructed. The performances of these models were compared. It was determined that the best-fit model was N-1. In the N-1 model, the structure of the model was designed to be 11 input layers, 2 hidden layers and 1 output layer. Thousand kernel weight, geometric mean diameter, sphericity, kernel volume, surface area, bulk density, true density, porosity and colour parameters of grain were used as input parameter; and varieties as output parameter. R2, Root Mean Square Error and Mean Error for the N-l model were found as 99.99%, 0.00074 and 0.009%, respectively. All results obtained by the N-l model were observed to have been quite consistent with real data. By this model, it would be possible to construct automation systems for classification and cleaning in flourmills.

Keywords: physical properties, artificial neural networks, barley, classification

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Authors: Hoang Van Ngoc, Nguyen Thu Huong, Nguyen Quang Bau

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Using the quantum kinetic equation for electrons interacting with acoustic phonon, the density of the constant current associated with the drag of charge carriers in cylindrical quantum wire by a linearly polarized electromagnetic wave, a DC electric field and a laser radiation field is calculated. The density of the constant current is studied as a function of the frequency of electromagnetic wave, as well as the frequency of laser field and the basic elements of quantum wire with a parabolic potential. The analytic expression of the constant current density is numerically evaluated and plotted for a specific quantum wires GaAs/AlGaAs to show the dependence of the constant current density on above parameters. All these results of quantum wire compared with bulk semiconductors and superlattices to show the difference.

Keywords: The photon-drag effect, the constant current density, quantum wire, parabolic potential

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Authors: Hyeongdo Jeong, Jong Kook Lee

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Granule morphology and microstructure were affected by slurry viscosity, chemical composition, particle size and spray drying process. In this study, we investigated granule morphology of zirconia powder with solid content on two-fluid spray drying. Zirconia granules after spray drying show sphere-like shapes with a diameter of 40-70 μm at low solid contents (30 or 40 wt%) and specific surface area of 5.1-5.6 m²/g. But a donut-like shape with a few cracks were observed on zirconia granules prepared from the slurry of high solid content (50 wt %), green compacts after cold isostatic pressing under the pressure of 200 MPa have the density of 2.1-2.2 g/cm³ and homogeneous fracture surface by complete destruction of granules. After the sintering at 1500 °C for 2 h, all specimens have relative density of 96.2-98.3 %. With increasing a solid content from 30 to 50 wt%, grain size increased from 0.3 to 0.6 μm, but relative density was inversely decreased from 98.3 to 96.2 %.

Keywords: zirconia, solid content, granulation, spray drying

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Authors: Hafdaoui Hichem, Mehadjebia Cherifa, Benatia Djamel

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In this paper, we propose a new method for Bulk detection of an acoustic microwave signal during the propagation of acoustic microwaves in a piezoelectric substrate (Lithium Niobate LiNbO3). We have used the classification by probabilistic neural network (PNN) as a means of numerical analysis in which we classify all the values of the real part and the imaginary part of the coefficient attenuation with the acoustic velocity in order to build a model from which we note the Bulk waves easily. These singularities inform us of presence of Bulk waves in piezoelectric materials. By which we obtain accurate values for each of the coefficient attenuation and acoustic velocity for Bulk waves. This study will be very interesting in modeling and realization of acoustic microwaves devices (ultrasound) based on the propagation of acoustic microwaves.

Keywords: piezoelectric material, probabilistic neural network (PNN), classification, acoustic microwaves, bulk waves, the attenuation coefficient

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Authors: A.Zitouni, S.Bentata, B.Bouadjemi, T.Lantri, W. Benstaali, Z.Aziz, S.Cherid, A. Sefir

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Structural, electronic, and magnetic properties of Co and Mn-doped CdTe have been studied by employing the full potential linear augmented plane waves (FP-LAPW) method within the spin-polarized density functional theory (DFT). The electronic exchange-correlation energy is described by generalized gradient approximation (GGA) as exchange–correlation (XC) potential. We have calculated the lattice parameters, bulk modulii and the first pressure derivatives of the bulk modulii, spin-polarized band structures, and total and local densities of states. The value of calculated magnetic moment per Co and Mn impurity atoms is found to be 2.21 µB for CdCoTe and 3.20 µB for CdMnTe. The calculated densities of states presented in this study identify the half-metallic of Co and Mn-doped CdTe.

Keywords: electronic structure, density functional theory, band structures, half-metallic, magnetic moment

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Authors: Michael Koblischka, Yassine Slimani, Thomas Karwoth, Anjela Koblischka-Veneva, Essia Hannachi

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On bulk FeSe superconductors containing different additions of Ag, a thorough investigation of the microstructures was performed using optical microscopy, SEM and TEM. The electrical resistivity was measured using four-point measurements in the temperature range 2 K ≤ T ≤ 150 K. The data obtained are analyzed in the framework of the excess conductivity approach using the Aslamazov-Larkin (AL) model. The investigated samples comprised of five distinct fluctuation regimes, namely short-wave (SWF), onedimensional (1D), two-dimensional (2D), three-dimensional (3D), and critical (CR) fluctuation regimes. The coherence length along the c-axis at zero-temperature (ξc(0)), the lower and upper critical magnetic fields (Bc1 and Bc2), the critical current density (Jc) and numerous other superconducting parameters were estimated with respect to the Ag content in the samples. The data reveal a reduction of the resistivity and a strong decrease of ξc(0) when doping the 11-samples with silver. The optimum content of the Ag-addition is found at 4 wt.-% Ag, yielding the highest critical current density.

Keywords: iron-based superconductors, FeSe, Ag-addition, excess conductivity, microstructure

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Authors: S. Perera, T. R. Walsh, M. Solvang

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The structure-property relationships of calcium aluminosilicate (CAS) glass surfaces are of scientific and technological interest regarding dissolution phenomena. Molecular dynamics (MD) simulations can provide atomic-scale insights into the structure and properties of the CAS interfaces in vacuo as the first step to conducting computational dissolution studies on CAS surfaces. However, one limitation to date is that although the bulk properties of CAS glasses have been well studied by MD simulation, corresponding efforts on CAS surface properties are relatively few in number (both theoretical and experimental). Here, a systematic computational protocol to create CAS surfaces in vacuo is developed by evaluating the sensitivity of the resultant surface structure with respect to different factors. Factors such as the relative thickness of the surface layer, the relative thickness of the bulk region, the cooling rate, and the annealing schedule (time and temperature) are explored. Structural features such as ring size distribution, defect concentrations (five-coordinated aluminium (AlV), non-bridging oxygen (NBO), and tri-cluster oxygen (TBO)), and linkage distribution are identified as significant features in dissolution studies.

Keywords: MD simulation, CAS glasses, surface structure, structure-property, CAS interface

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Authors: Meriem Harmel, Houari Khachai

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The full potential linearized augmented plane wave (FP-LAPW)method within density functional theory is applied to study, for the first time, the structural and electronic properties of CaFI and to compare them with CaFCl and CaFBr, all compounds belonging to the tetragonal PbFCl structure group with space group P4/nmm. We used the generalized gradient approximation (GGA) based on exchange–correlation energy optimization to calculate the total energy and also the Engel– Vosko GGA formalism, which optimizes the corresponding potential for band structure calculations. Ground state properties such as the lattice parameters, c/a ratio, bulk modulus, pressure derivative of the bulk modulus and cohesive energy are calculated, as well as the optimized internal parameters, by relaxing the atomic position in the force directions. The variations of the calculated interatomic distances and angles between different atomic bonds are discussed. CaFCl was found to have a direct band gap at whereas CaFBr and BaFI have indirect band gaps. From these computed bands, all three materials are found to be insulators having band gaps of 6.28, 5.46, and 4.50 eV, respectively. We also calculated the valence charge density and the total density of states at equilibrium volume for each compound. The results are in reasonable agreement with the available experimental data.

Keywords: DFT, matlockite, structural properties, electronic structure

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Authors: M. Arifuzzaman, H. S. Kim

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Multiple sets of variables associated with expanded perlite particle consolidation in foam manufacturing were analyzed to develop a model for predicting perlite foam density. The consolidation of perlite particles based on the flotation method and compaction involves numerous variables leading to the final perlite foam density. The variables include binder content, compaction ratio, perlite particle size, various perlite particle densities and porosities, and various volumes of perlite at different stages of process. The developed model was found to be useful not only for prediction of foam density but also for optimization between compaction ratio and binder content to achieve a desired density. Experimental verification was conducted using a range of foam densities (0.15–0.5 g/cm3) produced with a range of compaction ratios (1.5-3.5), a range of sodium silicate contents (0.05–0.35 g/ml) in dilution, a range of expanded perlite particle sizes (1-4 mm), and various perlite densities (such as skeletal, material, bulk, and envelope densities). A close agreement between predictions and experimental results was found.

Keywords: expanded perlite, flotation method, foam density, model, prediction, sodium silicate

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Authors: Marek Gancarz, Katarzyna Grądecka-Jakubowska, Urszula Malaga-Toboła, Rafał Kornas, Aleksandra Żytek, Robert Rusinek

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The aim of the research was to determine the emission of volatile organic compounds (VOCs) from corn grain depending on the degree of consolidation of the bulk material, imitating the processes occurring in silos during material storage. An electronic nose and a gas chromatograph were used for VOC analysis. Corn grain was densified under pressure of 40 and 80 kPa. Control samples of corn grain were not compacted and had bulk density. The analyzes were carried out at 14% and 17% humidity (w.b. – wet basis). The measurement system enabled quantitative and qualitative analyzes of volatile compounds and their emission intensity during the 10-day storage period. The study determined the profile of volatile compounds as a function of storage time and grain density level. The test results showed that the highest emission of volatile compounds was recorded in the first four days of storage of corn grain. VOC emissions, as well as grain moisture and volume, can be helpful in determining the quality of material stored in silos and its subsequent suitability for consumption.

Keywords: maize, consolidation, storage, VOCs, GC-MS, chemometrics

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Authors: Siu Hua Chang, Ayub Md Som, Jagannathan Krishnan

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The kinetics of Cu(II) transport through a bulk liquid membrane with different membrane materials was investigated in this work. Three types of membrane materials were used: Fresh cooking oil, waste cooking oil, and kerosene each of which was mixed with di-2-ethylhexylphosphoric acid (carrier) and tributylphosphate (modifier). Kinetic models derived from the kinetic laws of two consecutive irreversible first-order reactions were used to study the facilitated transport of Cu(II) across the source, membrane, and receiving phases of bulk liquid membrane. It was found that the transport kinetics of Cu(II) across the source phase was not affected by different types of membrane materials but decreased considerably when the membrane materials changed from kerosene, waste cooking oil to fresh cooking oil. The rate constants of Cu(II) removal and recovery processes through the bulk liquid membrane were also determined.

Keywords: transport kinetics, Cu(II), bulk liquid membrane, waste cooking oil

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Authors: Yuan Jie Kelvin Lu, Amin Chegenizadeh

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Asphalt pavement itself is a mixture made up of mainly aggregates, binders, and fillers that acts as a composition used for pavement construction. An experimental program was setup to determine the fatigue performance test of Asphalt with three different grades of conventional binders. Asphalt specimen has achieved the maximum optimum bulk density and air voids with a consistent bulk density of 2.3 t/m3, with an air void of 5% ± 0.5, before loading into the Asphalt Mixture Performance Tested (AMPT) for fatigue test. The number of cycles is defined as the point where phase angle drops, which is caused by the formation of cracks due to the increasing micro cracks when asphalt is undergoing repeated cycles of loading. Thus, the data collected are analyzed using the drop of phase angle as failure criteria. Based in the data analyzed, it is evident that the fatigue life of asphalt lies on the grade of binder. The result obtained shows that all specimens do experience a drop in phase angle due to macro cracks in the asphalt specimen.

Keywords: asphalt binder, AMPT, CX test, simplified – viscoelastic continuum damage (S-VECD)

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Authors: Ayad Salih Sabbar, Amin Chegenizadeh, Hamid Nikraz

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Investigation of liquefaction susceptibility of materials that have been used in embankments, slopes, dams, and foundations is very essential. Many catastrophic geo-hazards such as flow slides, declination of foundations, and damage to earth structure are associated with static liquefaction that may occur during abrupt shearing of these materials. Many artificial backfill materials are mixtures of sand with fines and other composition. In order to provide some clarifications and evaluations on the role of fines in static liquefaction behaviour of sand sandy soils, the effect of fines on the liquefaction susceptibility of sand was experimentally examined in the present work over a range of fines content, relative density, and initial confining pressure. The results of an experimental study on various sand-fines mixtures are presented. Undrained static triaxial compression tests were conducted on saturated Perth sand containing 5% bentonite at three different relative densities (10, 50, and 90%), and saturated Perth sand containing both 5% bentonite and slag (2%, 4%, and 6%) at single relative density 10%. Undrained static triaxial tests were performed at three different initial confining pressures (100, 150, and 200 kPa). The brittleness index was used to quantify the liquefaction potential of sand-bentonite-slag mixtures. The results demonstrated that the liquefaction susceptibility of sand-5% bentonite mixture was more than liquefaction susceptibility of clean sandy soil. However, liquefaction potential decreased when both of two fines (bentonite and slag) were used. Liquefaction susceptibility of all mixtures decreased with increasing relative density and initial confining pressure.  

Keywords: liquefaction, bentonite, slag, brittleness index

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Authors: Qiuhao Chang, Liangliang Huang, Xingru Wu

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In the United States, over 90% of the roads are paved with asphalt. The aging of asphalt is the most serious problem that causes the deterioration of asphalt pavement. Waste cooking oils (WCOs) have been found they can restore the properties of aged asphalt and promote the reuse of aged asphalt pavement. In our previous study, it was found the optimal WCO concentration to restore the aged asphalt sample should be in the range of 10~15 wt% of the aged asphalt sample. After the WCO concentration exceeds 15 wt%, as the WCO concentration increases, some important properties of the asphalt sample can be weakened by the addition of WCO, such as cohesion energy density, surface free energy density, bulk modulus, shear modulus, etc. However, maximizing the utilization of WCO can create environmental and economic benefits. Therefore, in this study, a new idea about using the waste polymer is another additive to restore the WCO modified asphalt that contains a high concentration of WCO (15-25 wt%) is proposed, which has never been reported before. In this way, both waste polymer and WCO can be utilized. The molecular dynamics simulation is used to study the effect of waste polymer on properties of WCO modified asphalt and understand the corresponding mechanism at the molecular level. The radial distribution function, self-diffusion, cohesion energy density, surface free energy density, bulk modulus, shear modulus, adhesion energy between asphalt and aggregate are analyzed to validate the feasibility of combining the waste polymer and WCO to restore the aged asphalt. Finally, the optimal concentration of waste polymer and WCO are determined.

Keywords: reclaim aged asphalt pavement, waste cooking oil, waste polymer, molecular dynamics simulation

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Authors: Sara Mosallanejad, Bogdan Z. Dlugogorski, Jeff Gore, Mohammednoor Altarawneh

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Ammonium nitrate (NH­₄NO₃, AN) is commonly used as the main component of AN emulsion and fuel oil (ANFO) explosives, that use extensively in civilian and mining operations for underground development and tunneling applications. The emulsion formulation and wettability of AN prills, which affect the physical stability and detonation of ANFO, highly depend on the surface tension, density, viscosity of the used liquid. Therefore, for engineering applications of this material, the determination of density and surface tension of concentrated aqueous solutions of AN is essential. The molecular dynamics (MD) simulation method have been used to investigate the density and the surface tension of high concentrated ammonium nitrate solutions; up to its solubility limit in water. Non-polarisable models for water and ions have carried out the simulations, and the electronic continuum correction model (ECC) uses a scaling of the charges of the ions to apply the polarisation implicitly into the non-polarisable model. The results of calculated density and the surface tension of the solutions have been compared to available experimental values. Our MD simulations show that the non-polarisable model with full-charge ions overestimates the experimental results while the reduce-charge model for the ions fits very well with the experimental data. Ions in the solutions show repulsion from the interface using the non-polarisable force fields. However, when charges of the ions in the original model are scaled in line with the scaling factor of the ECC model, the ions create a double ionic layer near the interface by the migration of anions toward the interface while cations stay in the bulk of the solutions. Similar ions orientations near the interface were observed when polarisable models were used in simulations. In conclusion, applying the ECC model to the non-polarisable force field yields the density and surface tension of the AN solutions with high accuracy in comparison to the experimental measurements.

Keywords: ammonium nitrate, electronic continuum correction, non-polarisable force field, surface tension

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Authors: Meriem Harmel, Houari Khachai

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We have investigated the structural, electronic and optical properties of a compound perovskite CsSrF3 using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). In this approach, both the local density approximation (LDA) and the generalized gradient approximation (GGA) were used for exchange-correlation potential calculation. The ground state properties such as lattice parameter, bulk modulus and its pressure derivative were calculated and the results are compared whit experimental and theoretical data. Electronic and bonding properties are discussed from the calculations of band structure, density of states and electron charge density, where the fundamental energy gap is direct under ambient conditions. The contribution of the different bands was analyzed from the total and partial density of states curves. The optical properties (namely: the real and the imaginary parts of the dielectric function ε(ω), the refractive index n(ω) and the extinction coefficient k(ω)) were calculated for radiation up to 35.0 eV. This is the first quantitative theoretical prediction of the optical properties for the investigated compound and still awaits experimental confirmations.

Keywords: DFT, fluoroperovskite, electronic structure, optical properties

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Authors: Oscar Corredor, Alexander Guzman, Adan Leon

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Density is a bulk physical property that indicates the quality of a petroleum fraction. It is also a useful property to estimate various physicochemical properties of fraction and petroleum fluids; however, the determination of density of extra heavy residual (EHR) fractions by standard methodologies, (ASTM D70) shows limitations for samples with higher densities than 1.0879 g/cm3. For this reason, a dilution methodology was developed in order to determinate density for those particular fractions, 87 (EHR) fractions were obtained as products of the fractionation of Colombian typical Vacuum Distillation Residual Fractions using molecular distillation (MD) and extraction with Solvent N-hexane in Supercritical Conditions (SFEF) pilot plants. The proposed methodology showed reliable results that can be demonstrated with the standard deviation of repeatability and reproducibility values of 0.0031 and 0.0061 g/ml respectively. In the same way, it was possible to determine densities in fractions EHR up to 1.1647g/cm3 and °API values obtained were ten times less than the water reference value.

Keywords: API, density, vacuum residual, molecular distillation, supercritical fluid extraction

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Authors: Yasaman Samani, Ali Golmohammadi

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Introduction: The degree of conversion and depth of cure affects the clinical success of resin composite restorations directly. One of the main challenges in achieving a successful composite restoration is the achievement of sufficient depth of cure. The insufficient polymerization may lead to a decrease in the physical/mechanical and biological properties of resin composites and, as a result of that, unsuccessful composite restoration. Thus, because of the importance of studying and evaluating the depth of cure and degree of conversion in bulk-fill composites, we decided to evaluate and compare the degree of conversion and depth of cure in two bulk-fill composites; x-tra fill (Voco, Germany) and Opus Bulk fill APS (FGM, Brazil). Materials and Methods: Composite resin specimens (n=10) per group were prepared as cylinder blocks (4×8 mm) with bulk-fill composites, x-tra fil (Voco, Germany) designated as Group A, and Opus Bulk fill APS (FGM, Brazil) designated as Group B. Depth of cure was determined according to “ISO 4049; Depth of Cure” method, In which each specimen were cured (iLED, Woodpecker, China) 40 seconds and FTIR spectroscopy method was used to estimate the degree of conversion of both the bulk-fill composites. The degree of conversion of monomer to polymer was estimated individually in the coronal half (Group A1 and B1) and pulpal half (Group A2 and Group B2) by dividing each specimen into two halves. The data were analyzed using a Student’s t-test and one-way ANOVA at a 5% level of significance. Results: The mean depth of cure in x-tra fil (Voco, Germany) was 3.99 (±0.16), and for Opus Bulk fill, APS (FGM, Brazil) was 2.14 (±0.3). The degree of conversion percentage in Group A1 was 82.7 (±6.1), in group A2 was 73.4 (±5.2), in group B1 was 63.3 (±4.7) and in Group B2 was 56.5 (±7.7). Statistical analysis revealed a significant difference in the depth of cure between the two bulk-fill composites with x-tra fil (Voco, Germany) higher than Opus Bulk fill APS (FGM, Brazil) (P<0.001). The degree of conversion percentage also showed a significant difference, Group A1 being higher than A2 (P=0.0085), B1, and B2 (P<0.001). Group A2 was also higher than B1 (P=0.003) and B2 (P<0.001). There was no significant difference between B1 and B2 (P=0.072). Conclusion: The results indicate that x-tra fill has more depth of cure and a higher percentage of the degree of conversion than Opus Bulk fill APS. The coronal half of x-tra fil had the highest depth of cure percentage (82.66%), and the pulpal half of Opus Bulk fill APS had the lowest percentage (56.45%). Even though both bulk-fill composite materials had an acceptable degree of conversion (55% and higher), x-tra fill has shown better results.

Keywords: depth of cure, degree of conversion, bulk-fill composite, FTIR

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Authors: I. Benkaddour, Y. Benkaddour, A. Benk Addour

Abstract:

The structural, elastic, Thermal, electronic, and magnetic properties of intermetallic RMn₂Ge₂ (R= Ca, Y, Nd) are investigated by density functional theory (DFT), using the full potential –linearised augmented plane wave method (FP-LAPW). In this approach, the local-density approximation (LDA) is used for the exchange-correlation (XC) potential. The equilibrium lattice constant and magnetic moment agree well with the experiment. The density of states shows that these phases are conductors, with contribution predominantly from the R and Mn d states. We have determined the elastic constants C₁₁, C₁₂, C₁₃, C₄₄, C₃₃, andC₆₆ at ambient conditions in, which have not been established neither experimentally nor theoretically. Thermal properties, including the relative expansion coefficients and the heat capacity, have been estimated using a quasi-harmonic Debye model.

Keywords: RMn₂Ge₂, intermetallic, first-principles, density of states, mechanical properties

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Authors: Laura Masilionyte, Danute Jablonskyte-Rasce, Kestutis Venslauskas, Zita Kriauciuniene

Abstract:

Alternative farming systems are used to cultivate high-quality food products and sustain the viability and fertility of the soil. Plant nutrition in all ecosystems depends not only on fertilization intensity or soil richness in organic matter but also on soil physical parameters –bulk density, structure, pores with the optimum moisture and air ratio available to plants. The field experiments of alternative (sustainable and organic) farming systems were conducted at Joniskelis Experimental Station of the Lithuanian Research Centre for Agriculture and Forestry in 2006–2016. The soil of the experimental site was Endocalcari-Endohypogleyic Cambisol (CMg-n-w-can). In alternative farming systems, farmyard manure, straw and catch crops for green manure were used for fertilization both in the soil with low and moderate humus contents. It had a more significant effect in the 0–20 cm depth layer on soil moisture than on other physical soil properties. In the agricultural systems, where catch crops were grown, soil physical characteristics did not differ significantly before their biomass incorporation, except for the moisture content, which was lower in rainy periods and higher in drier periods than in the soil of farming systems without catch crops. Soil bulk density and porosity in the topsoil layer were more dependent on soil humus content than on agricultural measures used: in the soil with moderate humus content, compared with the soil with low humus content, bulk density was by 1.4% lower, and porosity by 1.8% higher. The research findings allow to make improvements in alternative farming systems by choosing appropriate combinations of organic fertilizers and catch crops that have a sustainable effect on soil and maintain the sustainability of soil productivity parameters. Rational fertilization systems, securing the stability of soil productivity parameters and crop rotation productivity will promote the development of organic agriculture.

Keywords: agro-measures, soil physical parameters, organic farming, sustainable farming

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Authors: Rory Anthony Hutagalung, Leonardus Widjaja

Abstract:

Microalgae Meyerella planktonica is a potential biofuel source because it can grow in bulk in either autotrophic or heterotrophic condition. However, the quantitative growth of this algal type is still low as it tends to precipitates on the bottom. Beside, the lipid concentration is still low when grown in autotrophic condition. In contrast, heterotrophic condition can enhance the lipid concentration. The combination of autotrophic condition and agitation treatment was conducted to increase the density of the culture. On the other hand, a heterotrophic condition was set up to raise the lipid production. A two-stage experiment was applied to increase the density at the first step and to increase the lipid concentration in the next step. The autotrophic condition resulted higher density but lower lipid concentration compared to heterotrophic one. The agitation treatment produced higher density in both autotrophic and heterotrophic conditions. The two-stage experiment managed to enhance the density during the autotrophic stage and the lipid concentration during the heterotrophic stage. The highest yield was performed by using 0.4% v/v glycerol as a carbon source (2.9±0.016 x 106 cells w/w) attained 7 days after the heterotrophic stage began. The lipid concentration was stable starting from day 7.

Keywords: agitation, glycerol, heterotrophic, lipid productivity, Meyerella planktonica

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Authors: Samual Ayeni, A. S. Akinbani

Abstract:

At present when the price of petroleum is going down beyond bearable level, there is a need to diversify the economy towards arable crop production since Nigeria is an agrarian country. Yam plays prominent role in solving the problem of hunger in Nigeria. There is scarcity of information on the effect of fertilizers in increasing the yield of yam and maintaining soil properties in South Western Nigeria. This study was therefore set up to determine fertilizer effect on properties and yield of yam. The experiment was conducted at Adeyemi College of Education Teaching and Research Farm to compare the effect of organic, Organomineral and mineral fertilizers on yield of yam. Ten treatments were used 10t/ha Wood Ash, 10t/ha Cattle Dung, 10t/ha Poultry Manure, 10t/ha Manufactured Organic, 10t/ha Organomineral Fertilizer, 400kg/ha NPK, 400kg/ha SSP, 400kg/ha Urea and control with treatment. The treatments were laid out in a Randomized Complete Block Design (RCBD) and replicated three times. Compared with control, Organomineral fertilizer significantly (P < 0.05) increased the soil moisture content, poultry manure, wood ash significantly decreased (< 0.05) the bulk density. Application of 10t/ha Organomineral fertilizer recorded the highest increase in the yield of yam among the treatments.

Keywords: organomineral fertilizer, organic fertilizer, SSP, bulk density

Procedia PDF Downloads 271