Abstract: In the paper we submit the non-local modification of
kinetic Smoluchowski equation for binary aggregation applying to
dispersed media having memory. Our supposition consists in that that
intensity of evolution of clusters is supposed to be a function of the
product of concentrations of the lowest orders clusters at different
moments. The new form of kinetic equation for aggregation is
derived on the base of the transfer kernels approach. This approach
allows considering the influence of relaxation times hierarchy on
kinetics of aggregation process in media with memory.
Abstract: Discharges in hydrogen, ignited by wire explosion, with current amplitude up to 1.5 MA were investigated. Channel diameter oscillations were observed on the photostreaks. Voltage and current curves correlated with the photostreaks. At initial gas pressure of 5-35 MPa the oscillation period was proportional to square root of atomic number of the initiating wire material. These oscillations were associated with aligned magnetic and gas-kinetic pressures. At initial pressure of 80-160 MPa acoustic pressure fluctuations on the discharge chamber wall were increased up to 150 MPa and there were the growth of voltage fluctuations on the discharge gap up to 3 kV simultaneously with it. In some experiments it was observed abrupt increase in the oscillation amplitude, which can be caused by the resonance of the acoustic oscillations in discharge chamber volume and the oscillations connected with alignment of the gaskinetic pressure and the magnetic pressure, as far as frequencies of these oscillations are close to each other in accordance with the estimates and the experimental data. Resonance of different type oscillations can produce energy density increasing in the discharge channel. Thus, the appropriate initial conditions in the experiment allow to increase the energy density in the discharge channel
Abstract: Hydrodesulfurization (HDS) of dibenzothiophene
(DBT) in a high pressure batch reactor was done at 320 °C on
CoMoS/Al2O3-B2O3 (4, 10, and 16 wt. % of Boria) using nhexadecane
as solvent, dimethyldisulfide (DMDS) in tetradecane as
sulfur agent, and stirring at 1000 rpm. The effects of boria were
investigated by using X-ray diffraction (XRD), Temperature
programmed desorption (TPD) of ammonia, and Brunauer-Emmet-
Teller (BET) experiments. The results showed that the catalyst
prepared with low boria content (4 wt. %) had HDS activity (in
pseudo first order kinetic constant basis) value ~1.45 times higher to
that of CoMoS/Al2O3 catalyst.
Abstract: The kinetics of palm oil catalytic cracking over
aluminum containing mesoporous silica Al-MCM-41 (5% Al) was
investigated in a batch autoclave reactor at the temperatures range of
573 – 673 K. The catalyst was prepared by using sol-gel technique
and has been characterized by nitrogen adsorption and x-ray
diffraction methods. Surface area of 1276 m2/g with average pore
diameter of 2.54 nm and pore volume of 0.811 cm3/g was obtained.
The experimental catalytic cracking runs were conducted using 50 g
of oil and 1 g of catalyst. The reaction pressure was recorded at
different time intervals and the data were analyzed using Levenberg-
Marquardt (LM) algorithm using polymath software. The results
show that the reaction order was found to be -1.5 and activation
energy of 3200 J/gmol.
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: In this paper we present modeling and simulation for
physical vapor deposition for metallic bipolar plates. In the models
we discuss the application of different models to simulate the
transport of chemical reactions of the gas species in the gas chamber.
The so called sputter process is an extremely sensitive process to
deposit thin layers to metallic plates. We have taken into account
lower order models to obtain first results with respect to the gas
fluxes and the kinetics in the chamber.
The model equations can be treated analytically in some
circumstances and complicated multi-dimensional models are solved
numerically with a software-package (UG unstructed grids, see [1]).
Because of multi-scaling and multi-physical behavior of the models,
we discuss adapted schemes to solve more accurate in the different
domains and scales. The results are discussed with physical
experiments to give a valid model for the assumed growth of thin
layers.
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: An immunomodulator bioproduct is prepared in a
batch bioprocess with a modified bacterium Pseudomonas
aeruginosa. The bioprocess is performed in 100 L Bioengineering
bioreactor with 42 L cultivation medium made of peptone, meat
extract and sodium chloride. The optimal bioprocess parameters were
determined: temperature – 37 0C, agitation speed - 300 rpm, aeration
rate – 40 L/min, pressure – 0.5 bar, Dow Corning Antifoam M-max.
4 % of the medium volume, duration - 6 hours. This kind of
bioprocesses are appreciated as difficult to control because their
dynamic behavior is highly nonlinear and time varying. The aim of
the paper is to present (by comparison) different models based on
experimental data.
The analysis criteria were modeling error and convergence rate.
The estimated values and the modeling analysis were done by using
the Table Curve 2D.
The preliminary conclusions indicate Andrews-s model with a
maximum specific growth rate of the bacterium in the range of
0.8 h-1.
Abstract: The present paper reports the removal of Cd(II) and
Zn(II) ions using synthetic Zeolit NaA. The adsorption capacity of
the sorbent (Zeolite NaA) strongly depends on simultaneous or not
simultaneous (concurrent) presence of Cd(II) and Zn(II) in the
sorbate. When Cd(II) and Zn(II) are present simultaneously
(concurrently) in the sorbate, Zn(II) ions were sorbed at higher rate.
Equilibrium data fitted Langmuir, Freundlich and Tempkin isotherms
well. The applicability of the isotherm equation to describe the
adsorption process was judged by the correlation coefficients R2. The
Langmuir model yielded the best fit with R2 values equal to or higher
than 0.970, as compared to the Freundlich and Tempkin models. The
fact that 1/n values range from 0.322 to 0.755 indicates that the
adsorption of Cd(II) and Zn(II) ions from aqueous solutions also
favored by the Freundlich model.
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: 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: A kinetic model for propane dehydrogenation in an
industrial moving bed reactor is developed based on the reported
reaction scheme. The kinetic parameters and activity constant are
fine tuned with several sets of balanced plant data. Plant data at
different operating conditions is applied to validate the model and
the results show a good agreement between the model
predictions and plant observations in terms of the amount of main
product, propylene produced. The simulation analysis of key
variables such as inlet temperature of each reactor (Tinrx) and
hydrogen to total hydrocarbon ratio (H2/THC) affecting process
performance is performed to identify the operating condition to
maximize the production of propylene. Within the range of operating
conditions applied in the present studies, the operating condition to
maximize the propylene production at the same weighted average
inlet temperature (WAIT) is ΔTinrx1= -2, ΔTinrx2= +1, ΔTinrx3= +1 ,
ΔTinrx4= +2 and ΔH2/THC= -0.02. Under this condition, the surplus
propylene produced is 7.07 tons/day as compared with base case.
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: A new, simple and highly sensitive kinetic
spectrophotometric method was developed for the determination of
trace amounts of Ru(III) in the range of 0.06-20 ng/ml .The method
is based on the inhibitory effect of ruthenium(III) on the oxidation of
Rhodamine B by bromate in acidic and micellar medium. The
reaction was monitored spectrophotometrically by measuring the
decreasing in absorbance of Rhodamine B at 554 nm with a fixedtime
method..The limit of detection is 0.04 ng/ml Ru(III).The relative
standard deviation of 5 and 10 ng/ml Ru(III) was 2.3 and 2.7 %,
respectively. The method was applied to the determination of
ruthenium in real water samples
Abstract: The present work compares the performance of three
turbulence modeling approach (based on the two-equation k -ε
model) in predicting erosive wear in multi-size dense slurry flow
through rotating channel. All three turbulence models include
rotation modification to the production term in the turbulent kineticenergy
equation. The two-phase flow field obtained numerically
using Galerkin finite element methodology relates the local flow
velocity and concentration to the wear rate via a suitable wear model.
The wear models for both sliding wear and impact wear mechanisms
account for the particle size dependence. Results of predicted wear
rates using the three turbulence models are compared for a large
number of cases spanning such operating parameters as rotation rate,
solids concentration, flow rate, particle size distribution and so forth.
The root-mean-square error between FE-generated data and the
correlation between maximum wear rate and the operating
parameters is found less than 2.5% for all the three models.
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 objective of this work is to show a procedure for
mesh generation in a fluidized bed using large eddy simulations
(LES) of a filtered two-fluid model. The experimental data were
obtained by [1] in a laboratory fluidized bed. Results show that it is
possible to use mesh with less cells as compared to RANS turbulence
model with granular kinetic theory flow (KTGF). Also, the numerical
results validate the experimental data near wall of the bed, which
cannot be predicted by RANS.model.
Abstract: Lignocellulosic materials are considered the most
abundant renewable resource available for the Bioethanol
Production. Water Hyacinth is one of potential raw material of the
world-s worst aquatic plant as a feedstock to produce Bioethanol.
The purposed this research is obtain reduced of matter for
biodegradation lignin in Biological pretreatment with White Rot
Fungi eg. Phanerochaete Chrysosporium using Solid state
Fermentation methods. Phanerochaete Chrysosporium is known to
have the best ability to degraded lignin, but simultaneously it can also
degraded cellulose and hemicelulose. During 8 weeks incubation,
water hyacinth occurred loss of weight reached 34,67%, while loss
of lignin reached 67,21%, loss of cellulose reached 11,01% and loss
of hemicellulose reached 36,56%. The kinetic of losses lignin using
regression linear plot, the results is obtained constant rate (k) of
reduction lignin is -0.1053 and the equation of reduction of lignin
is y = wo - 0, 1.53 x
Abstract: Adsorption of Toluidine blue dye from aqueous solutions onto Neem Leaf Powder (NLP) has been investigated. The surface characterization of this natural material was examined by Particle size analysis, Scanning Electron Microscopy (SEM), Fourier Transform Infrared (FTIR) spectroscopy and X-Ray Diffraction (XRD). The effects of process parameters such as initial concentration, pH, temperature and contact duration on the adsorption capacities have been evaluated, in which pH has been found to be most effective parameter among all. The data were analyzed using the Langmuir and Freundlich for explaining the equilibrium characteristics of adsorption. And kinetic models like pseudo first- order, second-order model and Elovich equation were utilized to describe the kinetic data. The experimental data were well fitted with Langmuir adsorption isotherm model and pseudo second order kinetic model. The thermodynamic parameters, such as Free energy of adsorption (AG"), enthalpy change (AH') and entropy change (AS°) were also determined and evaluated.