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: The deviation between the target state variable and the
practical state variable should be used to form the state tending factor
of complex systems, which can reflect the process for the complex
system to tend rationalization. Relating to the system of basic
equations of complete factor synergetics consisting of twenty
nonlinear stochastic differential equations, the two new models are
considered to set, which should be called respectively the
rationalizing tendency model and the non- rationalizing tendency
model. Therefore we can extend the theory of programming with the
objective function & constraint condition suitable only for the realm
of man-s activities into the new analysis with the tendency function &
constraint condition suitable for all the field of complex system.
Abstract: In this study the adsorption of Cu (II) ions from aqueous solutions on synthetic zeolite NaA was evaluated. The effect of solution temperature and the determination of the kinetic parameters of adsorption of Cu(II) from aqueous solution on zeolite NaA is important in understanding the adsorption mechanism. Variables of the system include adsorption time, temperature (293- 328K), initial solution concentration and pH for the system. The sorption kinetics of the copper ions were found to be strongly dependent on pH (the optimum pH 3-5), solute ion concentration and temperature (293 – 328 K). It was found, the pseudo-second-order model was the best choice among all the kinetic models to describe the adsorption behavior of Cu(II) onto ziolite NaA, suggesting that the adsorption mechanism might be a chemisorptions process The activation energy of adsorption (Ea) was determined as Cu(II) 13.5 kJ mol-1. The low value of Ea shows that Cu(II) adsorption process by zeolite NaA may be an activated chemical adsorption. The thermodynamic parameters (ΔG0, ΔH0, and ΔS0) were also determined from the temperature dependence. The results show that the process of adsorption Cu(II) is spontaneous and endothermic process and rise in temperature favors the adsorption.
Abstract: Recently, bianisotropic media again received
increasing importance in electromagnetic theory because of advances
in material science which enable the manufacturing of complex
bianisotropic materials. By using Maxwell's equations and
corresponding boundary conditions, the electromagnetic field
distribution in bianisotropic solenoid coils is determined and the
influence of the bianisotropic behaviour of coil to the impedance and
Q-factor is considered. Bianisotropic media are the largest class of
linear media which is able to describe the macroscopic material
properties of artificial dielectrics, artificial magnetics, artificial chiral
materials, left-handed materials, metamaterials, and other composite
materials. Several special cases of coils, filled with complex
substance, have been analyzed. Results obtained by using the
analytical approach are compared with values calculated by
numerical methods, especially by our new hybrid EEM/BEM method
and FEM.
Abstract: The motivation of this work was to find a suitable 3D
scanner for human body parts digitalization in the field of prosthetics
and orthotics. The main project objective is to compare the three
hand-held portable scanners (two optical and one laser) and two
optical tripod scanners. The comparison was made with respect of
scanning detail, simplicity of operation and ability to scan directly on
the human body. Testing was carried out on a plaster cast of the
upper limb and directly on a few volunteers. The objective monitored
parameters were time of digitizing and post-processing of 3D data
and resulting visual data quality. Subjectively, it was considered level
of usage and handling of the scanner. The new tripod was developed
to improve the face scanning conditions. The results provide an
overview of the suitability of different types of scanners.
Abstract: This paper describes a one-dimensional numerical model for natural gas production from the dissociation of methane hydrate in hydrate-capped gas reservoir under depressurization and thermal stimulation. Some of the hydrate reservoirs discovered are overlying a free-gas layer, known as hydrate-capped gas reservoirs. These reservoirs are thought to be easiest and probably the first type of hydrate reservoirs to be produced. The mathematical equations that can be described this type of reservoir include mass balance, heat balance and kinetics of hydrate decomposition. These non-linear partial differential equations are solved using finite-difference fully implicit scheme. In the model, the effect of convection and conduction heat transfer, variation change of formation porosity, the effect of using different equations of state such as PR and ER and steam or hot water injection are considered. In addition distributions of pressure, temperature, saturation of gas, hydrate and water in the reservoir are evaluated. It is shown that the gas production rate is a sensitive function of well pressure.
Abstract: The crystallization kinetics and phase transformation
of SiO2.Al2O3.0,56P2O5.1,8CaO.0,56CaF2 glass have been
investigated using differential thermal analysis (DTA), x-ray
diffraction (XRD), and scanning electron microscopy (SEM). Glass
samples were obtained by melting the glass mixture at 14500С/120
min. in platinum crucibles. The mixture were prepared from
chemically pure reagents: SiO2, Al(OH)3, H3PO4, CaCO3 and CaF2.
The non-isothermal kinetics of crystallization was studied by
applying the DTA measurements carried out at various heating rates.
The activation energies of crystallization and viscous flow were
measured as 348,4 kJ.mol–1 and 479,7 kJ.mol–1 respectively. Value of
Avrami parameter n ≈ 3 correspond to a three dimensional of crystal
growth mechanism. The major crystalline phase determined by XRD
analysis was fluorapatite (Ca(PO4)3F) and as the minor phases –
fluormargarite (CaAl2(Al2SiO2)10F2) and vitlokite (Ca9P6O24). The
resulting glass-ceramic has a homogeneous microstructure, composed
of prismatic crystals, evenly distributed in glass phase.
Abstract: We report a lithography-free approach to fabricate the
biomimetics, quasi-beehive Si nanostructures (QBSNs), on
Si-substrates. The self-assembled SiGe nanoislands via the strain
induced surface roughening (Asaro-Tiller-Grinfeld instability) during
in-situ annealing play a key role as patterned sacrifice regions for
subsequent reactive ion etching (RIE) process performed for
fabricating quasi-beehive nanostructures on Si-substrates. As the
measurements of field emission, the bare QBSNs show poor field
emission performance, resulted from the existence of the native oxide
layer which forms an insurmountable barrier for electron emission. In
order to dramatically improve the field emission characteristics, the
platinum nanopillars (Pt-NPs) were deposited on QBSNs to form
Pt-NPs/QBSNs heterostructures. The turn-on field of Pt-NPs/QBSNs
is as low as 2.29 V/μm (corresponding current density of 1 μA/cm2),
and the field enhancement factor (β-value) is significantly increased to
6067. More importantly, the uniform and continuous electrons excite
light emission, due to the surrounding filed emitters from
Pt-NPs/QBSNs, can be easily obtained. This approach does not require
an expensive photolithographic process and possesses great potential
for applications.
Abstract: The effects of equilibrium time, solution pH, and
sorption temperature of cationic methylene blue (MB) adsorption on nanoporous metallosilicoaluminophosphate ZnAPSO-34 was studied
using a batch equilibration method. UV–VIS spectroscopy was used
to obtain the adsorption isotherms at 20° C. The optimum period for
adsorption was 300 min. However, MB removal increased from
81,82 % to 94,81 %. The equilibrium adsorption data was analyzed
by using Langmuir, Freundlich and Temkin isotherm models.
Langmuir isotherm was found to be the better-fitting model and the process followed pseudo second–order kinetics. The results showed
that ZnAPSO-34 could be employed as an effective material and could be an attractive alternative for the removal of dyes and colors
from aqueous solutions.
Abstract: The scientific perspective, the practice area of physical education and sports activities improve power capacity in all its forms of expression, being a generator of the research topics. Today theories that strength training athletes and slow down development progress will affect the strength and flexibility are discredited. On the other hand there are sectors and / or samples whose results are sports of the way higher manifestation of power as a result of the composition of the force and velocity, being based in this respect on the systematic and continuous development of both bio-motric capacities said. Training of force for children was and is controversial. Teama de accidentări sau a stopării premature a procesului de creştere a făcut ca în trecut copiii să fie ţinuţi departe de lucrul cu diferite greutăţi.Fear of injury or premature stop the growth process in the past made the children to be kept away from working with different weights. Recent studies have shown that the risk of accidents is relatively small and the strength training can help prevent them. For example, most accidents occur at the level of athletics ligaments and tendons. From this point of view, it can be said that a progressive intervention of force training, optimal design, will help enhancing their process, such as athlete much better prepared to meet training requests and competitions. Preparation of force provides a solid basis for further phases in the highest performance.
Abstract: Palm shell obtained from coastal part of southern
India was studied for the removal for the adsorption of Hg (II) ions.
Batch adsorption experiments were carried out as a function of pH,
concentration of Hg (II) ions, time, temperature and adsorbent dose.
Maximum removal was seen in the range pH 4.0- pH 7.0. The palm
shell powder used as adsorbent was characterized for its surface area,
SEM, PXRD, FTIR, ion exchange capacity, moisture content, and
bulk density, soluble content in water and acid and pH. The
experimental results were analyzed using Langmuir I, II, III, IV and
Freundlich adsorption isotherms. The batch sorption kinetics was
studied for the first order reversible reaction, pseudo first order;
pseudo second order reaction and the intra-particle diffusion reaction.
The biomass was successfully used for removal Hg (II) from
synthetic and industrial effluents and the technique appears
industrially applicable and viable.
Abstract: A time-domain numerical model within the
framework of transmission line modeling (TLM) is developed to
simulate electromagnetic pulse propagation inside multiple
microcavities forming photonic crystal (PhC) structures. The model
developed is quite general and is capable of simulating complex
electromagnetic problems accurately. The field quantities can be
mapped onto a passive electrical circuit equivalent what ensures that
TLM is provably stable and conservative at a local level.
Furthermore, the circuit representation allows a high level of
hybridization of TLM with other techniques and lumped circuit
models of components and devices. A photonic crystal structure
formed by rods (or blocks) of high-permittivity dieletric material
embedded in a low-dielectric background medium is simulated as an
example. The model developed gives vital spatio-temporal
information about the signal, and also gives spectral information over
a wide frequency range in a single run. The model has wide
applications in microwave communication systems, optical
waveguides and electromagnetic materials simulations.
Abstract: The direct discharge of palm oil mill effluent (POME) wastewater causes serious environmental pollution due to its high chemical oxygen demand (COD) and biochemical oxygen demand (BOD). Traditional ways for POME treatment have both economical and environmental disadvantages. In this study, a membrane anaerobic system (MAS) was used as an alternative, cost effective method for treating POME. Six steady states were attained as a part of a kinetic study that considered concentration ranges of 8,220 to 15,400 mg/l for mixed liquor suspended solids (MLSS) and 6,329 to 13,244 mg/l for mixed liquor volatile suspended solids (MLVSS). Kinetic equations from Monod, Contois and Chen & Hashimoto were employed to describe the kinetics of POME treatment at organic loading rates ranging from 2 to 13 kg COD/m3/d. throughout the experiment, the removal efficiency of COD was from 94.8 to 96.5% with hydraulic retention time, HRT from 400.6 to 5.7 days. The growth yield coefficient, Y was found to be 0.62gVSS/g COD the specific microorganism decay rate was 0.21 d-1 and the methane gas yield production rate was between 0.25 l/g COD/d and 0.58 l/g COD/d. Steady state influent COD concentrations increased from 18,302 mg/l in the first steady state to 43,500 mg/l in the sixth steady state. The minimum solids retention time, which was obtained from the three kinetic models ranged from 5 to 12.3 days. The k values were in the range of 0.35 – 0.519 g COD/ g VSS • d and values were between 0.26 and 0.379 d-1. The solids retention time (SRT) decreased from 800 days to 11.6 days. The complete treatment reduced the COD content to 2279 mg/l equivalent to a reduction of 94.8% reduction from the original.
Abstract: Computational study of two dimensional supersonic reacting hydrogen-air flows is performed to investigate the nitrogen effects on ignition delay time for premixed and diffusion flames. Chemical reaction is treated using detail kinetics and the advection upstream splitting method is used to calculate the numerical inviscid fluxes. The results show that just in stoichiometric condition for both premixed and diffusion flames, there is monotone dependency of the ignition delay time to the nitrogen addition. In other situations, the optimal condition from ignition viewpoint should be found using numerical investigations.
Abstract: Simulations of magnetic microstructure in elliptical
Permalloy elements used for controlled motion of magnetic particles
are discussed. The saturating field of the elliptical elements was
studied with respect to lateral dimensions for one-vortex, cross-tie,
diamond and double-diamond states as initial zero-field domain
configurations. With aspect ratio of 1:3 the short axis was varied
from 125 nm to 1000 nm, whereas the thickness was kept constant at
50 nm.
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: This paper investigates experimentally and
analytically the torsion behavior of steel fibered high strength self
compacting concrete beams reinforced by GFRP bars. Steel fibered
high strength self compacting concrete (SFHSSCC) and GFRP bars
became in the recent decades a very important materials in the
structural engineering field. The use of GFRP bars to replace steel
bars has emerged as one of the many techniques put forward to
enhance the corrosion resistance of reinforced concrete structures.
High strength concrete and GFRP bars attract designers and
architects as it allows improving the durability as well as the esthetics
of a construction. One of the trends in SFHSSCC structures is to
provide their ductile behavior and additional goal is to limit
development and propagation of macro-cracks in the body of
SFHSSCC elements. SFHSSCC and GFRP bars are tough, improve
the workability, enhance the corrosion resistance of reinforced
concrete structures, and demonstrate high residual strengths after
appearance of the first crack. Experimental studies were carried out
to select effective fiber contents. Three types of volume fraction from
hooked shape steel fibers are used in this study, the hooked steel
fibers were evaluated in volume fractions ranging between 0.0%,
0.75% and 1.5%. The beams shape is chosen to create the required
forces (i.e. torsion and bending moments simultaneously) on the test
zone. A total of seven beams were tested, classified into three groups.
All beams, have 200cm length, cross section of 10×20cm,
longitudinal bottom reinforcement of 3
Abstract: The aim of this article is to narrate the utility of novel simulation approach i.e. convolution method to predict blood concentration of drug utilizing dissolution data of salbutamol sulphate microparticulate formulations with different release patterns (1:1, 1:2 and 1:3, drug:polymer). Dissolution apparatus II USP 2007 and 900 ml double distilled water stirrd at 50 rpm was employed for dissolution analysis. From dissolution data, blood drug concentration was determined, and in return predicted blood drug concentration data was used to calculate the pharmacokinetic parameters i.e. Cmax, Tmax, and AUC. Convolution is a good biwaiver technique; however its better utility needs it application in the conditions where biorelevant dissolution media are used.
Abstract: In order to investigate a PROX microreactor
performance, two-dimensional modeling of the reacting flow
between two parallel plates is performed through a finite volume
method using an improved SIMPLE algorithm. A three-step surface
kinetics including hydrogen oxidation, carbon monoxide oxidation
and water-gas shift reaction is applied for a Pt-Fe/γ-Al2O3 catalyst
and operating temperatures of about 100ºC. Flow pattern, pressure
field, temperature distribution, and mole fractions of species are
found in the whole domain for all cases. Also, the required reactive
length for removing carbon monoxide from about 2% to less than 10
ppm is found. Furthermore, effects of hydraulic diameter, wall
temperature, and inlet mole fraction of air and water are investigated
by considering carbon monoxide selectivity and conversion. It is
found that air and water addition may improve the performance of
the microreactor in carbon monoxide removal in such operating
conditions; this is in agreement with the pervious published results.
Abstract: Potassium monopersulfate has been decomposed in
aqueous solution in the presence of Co(II). The effect of the main
operating variables has been assessed. Minimum variations in pH
exert a considerable influence on the process kinetics. Thus, when no
pH adjustment is considered, the actual effect of variables like initial
monopersulfate and/or catalyst concentration may be hindered. As
expected, temperature enhances the monopersulfate decomposition
rate by following the Arrhenius law. The activation energy in the
proximity of 85 kJ/mol has been obtained. Amongst the different
solids tested in the monopersulfate decomposition, only the
perovskite LaTi0.15Cu0.85O3 has shown a significant catalytic activity.