Abstract: This paper presents a ray tracing simulation technique for characterize the radiowave propagation inside building. The implementation of an algorithm capable of enumerating a large number of propagation paths in interactive time for the special case of 2.5D. The effective dielectric constants of the building structure in the simulations are indicated. The study describes an efficient 2.5D model of ray tracing algorithm were compared with 3D model. The result of the first investigations is that the environment of the indoor wave significantly changes as we change the electric parameters of material constructions. A detailed analysis of the dependence of the indoor wave on the wideband characteristics of the channel: root mean square (RMS) delay spread characteristics and Mean excess delay, is also investigated.
Abstract: High pressure adsorption of carbon dioxide on zeolite
13X was investigated in the pressure range (0 to 4) Mpa and
temperatures 298, 308 and 323K. The data fitting is accomplished
with the Toth, UNILAN, Dubinin-Astakhov and virial adsorption
models which are generally used for micro porous adsorbents such as
zeolites. Comparison with experimental data from the literature
indicated that the virial model would best determine results. These
results may be partly attributed to the flexibility of the virial model
which can accommodate as many constants as the data warrants.
Abstract: This study deals with the phenomena of reflection and transmission (refraction) of qSV-waves, for an incident of quasi transverse vertically waves, at a plane interface of two semi-infinite piezoelectric elastic media under the influence of the initial stresses. The relations governing the reflection and transmission coefficients of these reflected waves for various suitable boundary conditions are derived. We have shown analytically that reflection and transmission coefficients of (qP) and (qSV) waves depend upon the angle of incidence, the parameters of electric potential, the material constants of the medium as will as the initial stresses presented in the media. The numerical calculations of the reflection and transmission amplitude ratios for different values of initial stresses have been carried out by computer for different materials as examples and the results are given in the form of graphs. Finally, some of particular cases are considered.
Abstract: Density functional theory (DFT) calculations were
performed to compute nitrogen-14 and boron-11 nuclear quadrupole
resonance (NQR) spectroscopy parameters in the representative
model of armchair boron nitride nanotube (BNNT) for the first time.
The considered model consisting of 1 nm length of H-capped (5, 5)
single-wall BNNT were first allowed to fully relax and then the NQR
calculations were carried out on the geometrically optimized model.
The evaluated nuclear quadrupole coupling constants and asymmetry
parameters for the mentioned nuclei reveal that the model can be
divided into seven layers of nuclei with an equivalent electrostatic
environment where those nuclei at the ends of tubes have a very
strong electrostatic environment compared to the other nuclei along
the length of tubes. The calculations were performed via Gaussian 98
package of program.
Abstract: Malate dehydrogenase-glutamate oxaloacetate
aminotransferase (MDh-GOAT) enzyme complex (the EC) was
isolated and purified from wheat and rise, their some main physicchemical
properties were studied. Michael-s constants of the EC
MDh-GOAT to malate, glutamate and NAD were investigated. This
kinetic results show a high relationship to glutamate. Taking into
account important role of the the EC in catabolism of glutamate – the
central amino acid of a nitric exchange, there is a sharp necessity of
deeper studying of this enzyme complex. Therefore the basic purpose
of the work is studying the basic physical and chemical properties of
this enzyme complex discovered by us, which would be very
important for understanding the mechanisms of reaction catalyzed by
the EC.
Abstract: The peng-Robinson (PR), a cubic equation of state (EoS), is extended to polymers by using a single set of energy (A1, A2, A3) and co-volume (b) parameters per polymer fitted to experimental volume data. Excellent results for the volumetric behavior of the 11 polymer up to 2000 bar pressure are obtained. The EoS is applied to the correlation and prediction of Henry constants in polymer solutions comprising three polymer and many nonpolar and polar solvents, including supercritical gases. The correlation achieved with two adjustable parameter is satisfactory compared with the experimental data. As a result, the present work provides a simple and useful model for the prediction of Henry's constant for polymer containing systems including those containing polar, nonpolar and supercritical fluids.
Abstract: Thermo-chemical treatment (TCT) such as pyrolysis
is getting recognized as a valid route for (i) materials and valuable
products and petrochemicals recovery; (ii) waste recycling; and (iii)
elemental characterization. Pyrolysis is also receiving renewed
attention for its operational, economical and environmental
advantages. In this study, samples of polyethylene terephthalate
(PET) and polystyrene (PS) were pyrolysed in a microthermobalance
reactor (using a thermogravimetric-TGA setup). Both
polymers were prepared and conditioned prior to experimentation.
The main objective was to determine the kinetic parameters of the
depolymerization reactions that occur within the thermal degradation
process. Overall kinetic rate constants (ko) and activation energies
(Eo) were determined using the general kinetics theory (GKT)
method previously used by a number of authors. Fitted correlations
were found and validated using the GKT, errors were within ± 5%.
This study represents a fundamental step to pave the way towards the
development of scaling relationship for the investigation of larger
scale reactors relevant to industry.
Abstract: Reactiondiffusion systems are mathematical models that describe how the concentration of one or more substances distributed in space changes under the influence of local chemical reactions in which the substances are converted into each other, and diffusion which causes the substances to spread out in space. The classical representation of a reaction-diffusion system is given by semi-linear parabolic partial differential equations, whose general form is ÔêétX(x, t) = DΔX(x, t), where X(x, t) is the state vector, D is the matrix of the diffusion coefficients and Δ is the Laplace operator. If the solute move in an homogeneous system in thermal equilibrium, the diffusion coefficients are constants that do not depend on the local concentration of solvent and of solutes and on local temperature of the medium. In this paper a new stochastic reaction-diffusion model in which the diffusion coefficients are function of the local concentration, viscosity and frictional forces of solvent and solute is presented. Such a model provides a more realistic description of the molecular kinetics in non-homogenoeus and highly structured media as the intra- and inter-cellular spaces. The movement of a molecule A from a region i to a region j of the space is described as a first order reaction Ai k- → Aj , where the rate constant k depends on the diffusion coefficient. Representing the diffusional motion as a chemical reaction allows to assimilate a reaction-diffusion system to a pure reaction system and to simulate it with Gillespie-inspired stochastic simulation algorithms. The stochastic time evolution of the system is given by the occurrence of diffusion events and chemical reaction events. At each time step an event (reaction or diffusion) is selected from a probability distribution of waiting times determined by the specific speed of reaction and diffusion events. Redi is the software tool, developed to implement the model of reaction-diffusion kinetics and dynamics. It is a free software, that can be downloaded from http://www.cosbi.eu. To demonstrate the validity of the new reaction-diffusion model, the simulation results of the chaperone-assisted protein folding in cytoplasm obtained with Redi are reported. This case study is redrawing the attention of the scientific community due to current interests on protein aggregation as a potential cause for neurodegenerative diseases.
Abstract: Batch fermentation of 5, 10 and 25 g/L biodiesel
derived crude glycerol was carried out at 30, 37 and 450C by
Clostridium pasteurianum cells immobilized on silica. Maximum
yield of 1,3-propanediol (PDO) (0.60 mol/mol), and ethanol (0.26
mol/mol) were obtained from 10 g/L crude glycerol at 30 and 370C
respectively. Maximum yield of butanol (0.28 mol/mol substrate
added) was obtained at 370C with 25 g/L substrate. None of the three
products were detected at 45oC even after 10 days of fermentation.
Only traces of ethanol (0.01 mol/mol) were detected at 450C with 5
g/L substrate. The results obtained for 25 g/L substrate utilization
were fitted in first order rate equation to obtain the values of rate
constant at three different temperatures for bioconversion of glycerol.
First order rate constants for bioconversion of glycerol at 30, 37 and
45oC were found to be 0.198, 0.294 and 0.029/day respectively.
Activation energy (Ea) for crude glycerol bioconversion was
calculated to be 57.62 kcal/mol.
Abstract: In the present study, a procedure was developed to
determine the optimum reaction rate constants in generalized
Arrhenius form and optimized through the Nelder-Mead method. For
this purpose, a comprehensive mathematical model of a fixed bed
reactor for dehydrogenation of heavy paraffins over Pt–Sn/Al2O3
catalyst was developed. Utilizing appropriate kinetic rate expressions
for the main dehydrogenation reaction as well as side reactions and
catalyst deactivation, a detailed model for the radial flow reactor was
obtained. The reactor model composed of a set of partial differential
equations (PDE), ordinary differential equations (ODE) as well as
algebraic equations all of which were solved numerically to
determine variations in components- concentrations in term of mole
percents as a function of time and reactor radius. It was demonstrated
that most significant variations observed at the entrance of the bed
and the initial olefin production obtained was rather high. The
aforementioned method utilized a direct-search optimization
algorithm along with the numerical solution of the governing
differential equations. The usefulness and validity of the method was
demonstrated by comparing the predicted values of the kinetic
constants using the proposed method with a series of experimental
values reported in the literature for different systems.
Abstract: In this investigation, anatase TiO2 thin films were
grown by radio frequency magnetron sputtering on glass substrates at
a high sputtering pressure and room temperature. The anatase films
were then annealed at 300-600 °C in air for a period of 1 hour. To
examine the structure and morphology of the films, X-ray diffraction
(XRD) and atomic force microscopy (AFM) methods were used
respectively. From X-ray diffraction patterns of the TiO2 films, it was
found that the as-deposited film showed some differences compared
with the annealed films and the intensities of the peaks of the
crystalline phase increased with the increase of annealing
temperature. From AFM images, the distinct variations in the
morphology of the thin films were also observed. The optical
constants were characterized using the transmission spectra of the
films obtained by UV-VIS-IR spectrophotometer. Besides, optical
thickness of the film deposited at room temperature was calculated
and cross-checked by taking a cross-sectional image through SEM.
The optical band gaps were evaluated through Tauc model. It was
observed that TiO2 films produced at room temperatures exhibited
high visible transmittance and transmittance decreased slightly with
the increase of annealing temperatures. The films were found to be
crystalline having anatase phase. The refractive index of the films
was found from 2.31-2.35 in the visible range. The extinction
coefficient was nearly zero in the visible range and was found to
increase with annealing temperature. The allowed indirect optical
band gap of the films was estimated to be in the range from 3.39 to
3.42 eV which showed a small variation. The allowed direct band
gap was found to increase from 3.67 to 3.72 eV. The porosity was
also found to decrease at a higher annealing temperature making the
film compact and dense.
Abstract: Creep stresses and strain rates have been obtained
for a thin rotating disc having variable density with inclusion by
using Seth-s transition theory. The density of the disc is assumed to
vary radially, i.e. ( ) 0 ¤ü ¤ü r/b m - = ; ¤ü 0 and m being real positive
constants. It has been observed that a disc, whose density increases
radially, rotates at higher angular speed, thus decreasing the
possibility of a fracture at the bore, whereas for a disc whose
density decreases radially, the possibility of a fracture at the bore
increases.
Abstract: Fatigue is the major threat in service of steel structure
subjected to fluctuating loads. With the additional effect of corrosion
and presence of weld joints the fatigue failure may become more
critical in structural steel. One of the apt examples of such structural
is the sailing ship. This is experiencing a constant stress due to
floating and a pulsating bending load due to the waves. This paper
describes an attempt to verify theory of fatigue in fracture mechanics
approach with experimentation to determine the constants of crack
growth curve. For this, specimen is prepared from the ship building
steel and it is subjected to a pulsating bending load with a known
defect. Fatigue crack and its nature is observed in this experiment.
Application of fracture mechanics approach in fatigue with a simple
practical experiment is conducted and constants of crack growth
equation are investigated.
Abstract: The bromination of five selected pharmaceuticals
(metoprolol, naproxen, amoxicillin, hydrochlorotiazide and
phenacetin) in ultrapure water and in three water matrices (a
groundwater, a surface water from a public reservoir and a secondary
effluent from a WWTP) was investigated. The apparent rate
constants for the bromination reaction were determined as a function
of the pH, and the sequence obtained for the reaction rate was
amoxicillin > naproxen >> hydrochlorotiazide ≈ phenacetin ≈
metoprolol. The proposal of a kinetic mechanism, which specifies the
dissociation of bromine and each pharmaceutical according to their
pKa values and the pH allowed the determination of the intrinsic rate
constants for every elementary reaction. The influence of the main
operating conditions (pH, initial bromine dose, and the water matrix)
on the degradation of pharmaceuticals was established. In addition,
the presence of bromide in chlorination experiments was
investigated. The presence of bromide in wastewaters and drinking
waters in the range of 10 to several hundred μg L-1 accelerated
slightly the oxidation of the selected pharmaceuticals during chorine
disinfection.
Abstract: A computational study at the level density functional theory (DFT) was carried out to investigate the influences of Si and C-doping on the 14N and 27Al quadrupole coupling constant in the (10, 0) zigzag single ? walled Aluminum-Nitride nanotube (AlNNT). To this aim, a 1.16nm, length of AlNNT consisting of 40 Al atoms and 40 N atoms were selected where the end atoms are capped by hydrogen atom. To follow the purpose, three Si atoms and three C atoms were doped instead of three Al atoms and three N atoms as a central ring in the surface of the Si and C-doped AlNNT. At first both of systems optimized at the level of BLYP method and 6-31G (d) basis set and after that, the NQR parameters were calculated at the level BLYP method and 6-311+G** basis set in two optimized forms. The calculate CQ values for both optimized AlNNT systems, raw and Si and C-doped, reveal different electronic environments in the mentioned systems. It was also demonstrated that the end nuclei have the largest CQ values in both considered AlNNT systems. All the calculations were carried out using Gaussian 98 package of program.
Abstract: Potassium monopersulfate has been decomposed in aqueous solution in the presence of Co(II). The process has been simulated by means of a mechanism based on elementary reactions. Rate constants have been taken from literature reports or, alternatively, assimilated to analogous reactions occurring in Fenton's chemistry. Several operating conditions have been successfully applied.
Abstract: In this study, the contact problem of a layered composite which consists of two materials with different elastic constants and heights resting on two rigid flat supports with sharp edges is considered. The effect of gravity is neglected. While friction between the layers is taken into account, it is assumed that there is no friction between the supports and the layered composite so that only compressive tractions can be transmitted across the interface. The layered composite is subjected to a uniform clamping pressure over a finite portion of its top surface. The problem is reduced to a singular integral equation in which the contact pressure is the unknown function. The singular integral equation is evaluated numerically and the results for various dimensionless quantities are presented in graphical forms.
Abstract: To compute dynamic characteristics of nonlinear viscoelastic springs with elastic structures having huge degree-of-freedom, Yamaguchi proposed a new fast numerical method using finite element method [1]-[2]. In this method, restoring forces of the springs are expressed using power series of their elongation. In the expression, nonlinear hysteresis damping is introduced. In this expression, nonlinear complex spring constants are introduced. Finite element for the nonlinear spring having complex coefficients is expressed and is connected to the elastic structures modeled by linear solid finite element. Further, to save computational time, the discrete equations in physical coordinate are transformed into the nonlinear ordinary coupled equations using normal coordinate corresponding to linear natural modes. In this report, the proposed method is applied to simulation for impact responses of a viscoelastic shock absorber with an elastic structure (an S-shaped structure) by colliding with a concentrated mass. The concentrated mass has initial velocities and collides with the shock absorber. Accelerations of the elastic structure and the concentrated mass are measured using Levitation Mass Method proposed by Fujii [3]. The calculated accelerations from the proposed FEM, corresponds to the experimental ones. Moreover, using this method, we also investigate dynamic errors of the S-shaped force transducer due to elastic mode in the S-shaped structure.
Abstract: An on-line condition monitoring method for transmission line is proposed using electrical circuit theory and IT technology in this paper. It is reasonable that the circuit parameters such as resistance (R), inductance (L), conductance (g) and capacitance (C) of a transmission line expose the electrical conditions and physical state of the line. Those parameters can be calculated from the linear equation composed of voltages and currents measured by synchro-phasor measurement technique at both end of the line. A set of linear voltage drop equations containing four terminal constants (A, B ,C ,D ) are mathematical models of the transmission line circuits. At least two sets of those linear equations are established from different operation condition of the line, they may mathematically yield those circuit parameters of the line. The conditions of line connectivity including state of connecting parts or contacting parts of the switching device may be monitored by resistance variations during operation. The insulation conditions of the line can be monitored by conductance (g) and capacitance(C) measurements. Together with other condition monitoring devices such as partial discharge, sensors and visual sensing device etc.,they may give useful information to monitor out any incipient symptoms of faults. The prototype of hardware system has been developed and tested through laboratory level simulated transmission lines. The test has shown enough evident to put the proposed method to practical uses.
Abstract: Semiconductor materials with coatings have a wide range of applications in MEMS and NEMS. This work uses transfermatrix method for calculating the radiative properties. Dopped silicon is used and the coherent formulation is applied. The Drude model for the optical constants of doped silicon is employed. Results showed that for the visible wavelengths, more emittance occurs in greater concentrations and the reflectance decreases as the concentration increases. In these wavelengths, transmittance is negligible. Donars and acceptors act similar in visible wavelengths. The effect of wave interference can be understood by plotting the spectral properties such as reflectance or transmittance of a thin dielectric film versus the film thickness and analyzing the oscillations of properties due to constructive and destructive interferences. But this effect has not been shown at visible wavelengths. At room temperature, the scattering process is dominated by lattice scattering for lightly doped silicon, and the impurity scattering becomes important for heavily doped silicon when the dopant concentration exceeds1018cm-3 .