Abstract: This paper describes the application of a model
predictive controller to the problem of batch reactor temperature
control. Although a great deal of work has been done to improve
reactor throughput using batch sequence control, the control of the
actual reactor temperature remains a difficult problem for many
operators of these processes. Temperature control is important as
many chemical reactions are sensitive to temperature for formation of
desired products. This controller consist of two part (1) a nonlinear
control method GLC (Global Linearizing Control) to create a linear
model of system and (2) a Model predictive controller used to obtain
optimal input control sequence. The temperature of reactor is tuned
to track a predetermined temperature trajectory that applied to the
batch reactor. To do so two input signals, electrical powers and the
flow of coolant in the coil are used. Simulation results show that the
proposed controller has a remarkable performance for tracking
reference trajectory while at the same time it is robust against noise
imposed to system output.
Abstract: Pretreatment is an essential step in the conversion of
lignocellulosic biomass to fermentable sugar that used for biobutanol
production. Among pretreatment processes, microwave is considered
to improve pretreatment efficiency due to its high heating efficiency,
easy operation, and easily to combine with chemical reaction. The
main objectives of this work are to investigate the feasibility of
microwave pretreatment to enhance enzymatic hydrolysis of
corncobs and to determine the optimal conditions using response
surface methodology. Corncobs were pretreated via two-stage
pretreatment in dilute sodium hydroxide (2 %) followed by dilute
sulfuric acid 1 %. Pretreated corncobs were subjected to enzymatic
hydrolysis to produce reducing sugar. Statistical experimental design
was used to optimize pretreatment parameters including temperature,
residence time and solid-to-liquid ratio to achieve the highest amount
of glucose. The results revealed that solid-to-liquid ratio and
temperature had a significant effect on the amount of glucose.
Abstract: Modeling and simulation of biochemical reactions is of great interest in the context of system biology. The central dogma of this re-emerging area states that it is system dynamics and organizing principles of complex biological phenomena that give rise to functioning and function of cells. Cell functions, such as growth, division, differentiation and apoptosis are temporal processes, that can be understood if they are treated as dynamic systems. System biology focuses on an understanding of functional activity from a system-wide perspective and, consequently, it is defined by two hey questions: (i) how do the components within a cell interact, so as to bring about its structure and functioning? (ii) How do cells interact, so as to develop and maintain higher levels of organization and functions? In recent years, wet-lab biologists embraced mathematical modeling and simulation as two essential means toward answering the above questions. The credo of dynamics system theory is that the behavior of a biological system is given by the temporal evolution of its state. Our understanding of the time behavior of a biological system can be measured by the extent to which a simulation mimics the real behavior of that system. Deviations of a simulation indicate either limitations or errors in our knowledge. The aim of this paper is to summarize and review the main conceptual frameworks in which models of biochemical networks can be developed. In particular, we review the stochastic molecular modelling approaches, by reporting the principal conceptualizations suggested by A. A. Markov, P. Langevin, A. Fokker, M. Planck, D. T. Gillespie, N. G. van Kampfen, and recently by D. Wilkinson, O. Wolkenhauer, P. S. Jöberg and by the author.
Abstract: The equilibrium chemical reactions taken place in a converter reactor of the Khorasan Petrochemical Ammonia plant was studied using the minimization of Gibbs free energy method. In the minimization of the Gibbs free energy function the Davidon– Fletcher–Powell (DFP) optimization procedure using the penalty terms in the well-defined objective function was used. It should be noted that in the DFP procedure along with the corresponding penalty terms the Hessian matrices for the composition of constituents in the Converter reactor can be excluded. This, in fact, can be considered as the main advantage of the DFP optimization procedure. Also the effect of temperature and pressure on the equilibrium composition of the constituents was investigated. The results obtained in this work were compared with the data collected from the converter reactor of the Khorasan Petrochemical Ammonia plant. It was concluded that the results obtained from the method used in this work are in good agreement with the industrial data. Notably, the algorithm developed in this work, in spite of its simplicity, takes the advantage of short computation and convergence time.
Abstract: The alumosilicate ceramics with mullite crystalline phase are used in various branches of science and technique. The mullite refractory ceramics with high porosity serve as a heat insulator and as a constructional materials [1], [2]. The purpose of the work was to sinter high porosity ceramic and to increase the quantity of mullite phase in this mullite, mullite-corundum ceramics. Two types of compositions were prepared at during the experiment. The first type is compositions with commercial alumina and silica oxides. The second type is from mixing these oxides with 10, 20 and 30 wt.%. of kaolin. In all samples the Al2O3 and SiO2 were in 2.57:1 ratio, because that was conformed to mullite stechiometric compositions (3Al2O3.2SiO2). The types of alumina oxides were α-Al2O3 (d50=4µm) and γ-Al2O3 (d50=80µm). Ratios of α-: γ-Al2O3 were (1:1) or (1:3). The porous materials were prepared by slip casting of suspension of raw materials. The aluminium paste (0.18 wt.%) was used as a pore former. Water content in the suspensions was 26-47 wt.%. Pore formation occurred as a result of hydrogen formation in chemical reaction between aluminium paste and water [2]. The samples were sintered at the temperature of 1650°C and 1750°C for one hour. The increasing amount of kaolin, α-: γ-Al2O3 at the ratio (1:3) and sintering at the highest temperature raised the quantity of mullite phase. The mullite phase began to dominate over the corundum phase.
Abstract: A pilot plant for continuous flow microwave-assisted
chemical reaction combined with microreactors was developed and
water heating tests were conducted for evaluation of the developed
plant. We developed a microwave apparatus having a single
microwave generator that can heat reaction solutions in four reaction
fields simultaneously in order to increase throughput. We also
designed a four-branch waveguide using electromagnetic simulation,
and found that the transmission efficiency at 99%. Finally, we
developed the pilot plant using the developed microwave apparatus
and conducted water heating tests. The temperatures in the respective
reaction fields were controlled within ±1.1 K at 353.2 K. Moreover,
the energy absorption rates by the water were about 90% in the
respective reaction fields, whereas the energy absorption rate was
about 40% when 100 cm3 of water was heated by a commercially
available multimode microwave chemical reactor.
Abstract: To understand working features of a micro combustor,
a computer code has been developed to study combustion of
hydrogen–air mixture in a series of chambers with same shape aspect
ratio but various dimensions from millimeter to micrometer level.
The prepared algorithm and the computer code are capable of
modeling mixture effects in different fluid flows including chemical
reactions, viscous and mass diffusion effects. The effect of various
heat transfer conditions at chamber wall, e.g. adiabatic wall, with
heat loss and heat conduction within the wall, on the combustion is
analyzed. These thermal conditions have strong effects on the
combustion especially when the chamber dimension goes smaller and
the ratio of surface area to volume becomes larger.
Both factors, such as larger heat loss through the chamber wall
and smaller chamber dimension size, may lead to the thermal
quenching of micro-scale combustion. Through such systematic
numerical analysis, a proper operation space for the micro-combustor
is suggested, which may be used as the guideline for microcombustor
design. In addition, the results reported in this paper
illustrate that the numerical simulation can be one of the most
powerful and beneficial tools for the micro-combustor design,
optimization and performance analysis.
Abstract: The paper presents an analytical solution for dispersion
of a solute in the peristaltic motion of a couple stress fluid
through a porous medium with slip condition in the presence of both
homogeneous and heterogeneous chemical reactions. The average
effective dispersion coefficient has been found using Taylor-s limiting
condition and long wavelength approximation. The effects of various
relevant parameters on the average coefficient of dispersion have been
studied. The average effective dispersion coefficient tends to increase
with permeability parameter but tends to decrease with homogeneous
chemical reaction rate parameter, couple stress parameter, slip parameter
and heterogeneous reaction rate parameter.
Abstract: Stock portfolio selection is a classic problem in finance,
and it involves deciding how to allocate an institution-s or an individual-s
wealth to a number of stocks, with certain investment objectives
(return and risk). In this paper, we adopt the classical Markowitz
mean-variance model and consider an additional common realistic
constraint, namely, the cardinality constraint. Thus, stock portfolio
optimization becomes a mixed-integer quadratic programming problem
and it is difficult to be solved by exact optimization algorithms.
Chemical Reaction Optimization (CRO), which mimics the molecular
interactions in a chemical reaction process, is a population-based
metaheuristic method. Two different types of CRO, named canonical
CRO and Super Molecule-based CRO (S-CRO), are proposed to solve
the stock portfolio selection problem. We test both canonical CRO
and S-CRO on a benchmark and compare their performance under
two criteria: Markowitz efficient frontier (Pareto frontier) and Sharpe
ratio. Computational experiments suggest that S-CRO is promising
in handling the stock portfolio optimization problem.
Abstract: The effect of variable chemical reaction on heat and mass transfer characteristics over unsteady stretching surface embedded in a porus medium is studied. The governing time dependent boundary layer equations are transformed into ordinary differential equations containing chemical reaction parameter, unsteadiness parameter, Prandtl number and Schmidt number. These equations have been transformed into a system of first order differential equations. MATHEMATICA has been used to solve this system after obtaining the missed initial conditions. The velocity gradient, temperature, and concentration profiles are computed and discussed in details for various values of the different parameters.
Abstract: The understanding of the system level of biological behavior and phenomenon variously needs some elements such as gene sequence, protein structure, gene functions and metabolic pathways. Challenging problems are representing, learning and reasoning about these biochemical reactions, gene and protein structure, genotype and relation between the phenotype, and expression system on those interactions. The goal of our work is to understand the behaviors of the interactions networks and to model their evolution in time and in space. We propose in this study an ontological meta-model for the knowledge representation of the genetic regulatory networks. Ontology in artificial intelligence means the fundamental categories and relations that provide a framework for knowledge models. Domain ontology's are now commonly used to enable heterogeneous information resources, such as knowledge-based systems, to communicate with each other. The interest of our model is to represent the spatial, temporal and spatio-temporal knowledge. We validated our propositions in the genetic regulatory network of the Aarbidosis thaliana flower
Abstract: Anodizing is an electrochemical process that converts the metal surface into a decorative, durable, corrosion-resistant, anodic oxide finish. Aluminum is ideally suited to anodizing, although other nonferrous metals, such as magnesium and titanium, also can be anodized. The anodic oxide structure originates from the aluminum substrate and is composed entirely of aluminum oxide. This aluminum oxide is not applied to the surface like paint or plating, but is fully integrated with the underlying aluminum substrate, so cannot chip or peel. It has a highly ordered, porous structure that allows for secondary processes such as coloring and sealing. In this experimental paper, we focus on a reliable method for fabricating nanoporous alumina with high regularity. Starting from study of nanostructure materials synthesize methods. After that, porous alumina fabricate in the laboratory by anodization of aluminum oxide. Hard anodization processes are employed to fabricate the nanoporous alumina using 0.3M oxalic acid and 90, 120 and 140 anodized voltages. The nanoporous templates were characterized by SEM and FFT. The nanoporous templates using 140 voltages have high ordered. The pore formation, influence of the experimental conditions on the pore formation, the structural characteristics of the pore and the oxide chemical reactions involved in the pore growth are discuss.
Abstract: This paper describes the application of a model predictive controller to the problem of batch reactor temperature control. Although a great deal of work has been done to improve reactor throughput using batch sequence control, the control of the actual reactor temperature remains a difficult problem for many operators of these processes. Temperature control is important as many chemical reactions are sensitive to temperature for formation of desired products. This controller consist of two part (1) a nonlinear control method GLC (Global Linearizing Control) to create a linear model of system and (2) a Model predictive controller used to obtain optimal input control sequence. The temperature of reactor is tuned to track a predetermined temperature trajectory that applied to the batch reactor. To do so two input signals, electrical powers and the flow of coolant in the coil are used. Simulation results show that the proposed controller has a remarkable performance for tracking reference trajectory while at the same time it is robust against noise imposed to system output.
Abstract: In this paper, the effects of radiation, chemical
reaction and double dispersion on mixed convection heat and mass
transfer along a semi vertical plate are considered. The plate is
embedded in a Newtonian fluid saturated non - Darcy (Forchheimer
flow model) porous medium. The Forchheimer extension and first
order chemical reaction are considered in the flow equations. The
governing sets of partial differential equations are nondimensionalized
and reduced to a set of ordinary differential
equations which are then solved numerically by Fourth order Runge–
Kutta method. Numerical results for the detail of the velocity,
temperature, and concentration profiles as well as heat transfer rates
(Nusselt number) and mass transfer rates (Sherwood number) against
various parameters are presented in graphs. The obtained results are
checked against previously published work for special cases of the
problem and are found to be in good agreement.
Abstract: The paper presents an analytical solution for dispersion
of a solute in the peristaltic motion of a micropolar fluid in the
presence of magnetic field and both homogeneous and heterogeneous
chemical reactions. The average effective dispersion coefficient has
been found using Taylor-s limiting condition under long wavelength
approximation. The effects of various relevant parameters on the average
coefficient of dispersion have been studied. The average effective
dispersion coefficient increases with amplitude ratio, cross viscosity
coefficient and heterogeneous chemical reaction rate parameter. But it
decreases with magnetic field parameter and homogeneous chemical
reaction rate parameter. It can be noted that the presence of peristalsis
enhances dispersion of a solute.
Abstract: Technology of thin film deposition is of interest in
many engineering fields, from electronic manufacturing to corrosion
protective coating. A typical deposition process, like that developed
at the University of Eindhoven, considers the deposition of a thin,
amorphous film of C:H or of Si:H on the substrate, using the
Expanding Thermal arc Plasma technique. In this paper a computing
procedure is proposed to simulate the flow field in a deposition
chamber similar to that at the University of Eindhoven and a
sensitivity analysis is carried out in terms of: precursor mass flow
rate, electrical power, supplied to the torch and fluid-dynamic
characteristics of the plasma jet, using different nozzles. To this
purpose a deposition chamber similar in shape, dimensions and
operating parameters to the above mentioned chamber is considered.
Furthermore, a method is proposed for a very preliminary evaluation
of the film thickness distribution on the substrate. The computing
procedure relies on two codes working in tandem; the output from
the first code is the input to the second one. The first code simulates
the flow field in the torch, where Argon is ionized according to the
Saha-s equation, and in the nozzle. The second code simulates the
flow field in the chamber. Due to high rarefaction level, this is a
(commercial) Direct Simulation Monte Carlo code. Gas is a mixture
of 21 chemical species and 24 chemical reactions from Argon plasma
and Acetylene are implemented in both codes. The effects of the
above mentioned operating parameters are evaluated and discussed
by 2-D maps and profiles of some important thermo-fluid-dynamic
parameters, as per Mach number, velocity and temperature. Intensity,
position and extension of the shock wave are evaluated and the
influence of the above mentioned test conditions on the film
thickness and uniformity of distribution are also evaluated.
Abstract: In this paper we present discretization and decomposition methods for a multi-component transport model of a chemical vapor deposition (CVD) process. CVD processes are used to manufacture deposition layers or bulk materials. In our transport model we simulate the deposition of thin layers. The microscopic model is based on the heavy particles, which are derived by approximately solving a linearized multicomponent Boltzmann equation. For the drift-process of the particles we propose diffusionreaction equations as well as for the effects of heat conduction. We concentrate on solving the diffusion-reaction equation with analytical and numerical methods. For the chemical processes, modelled with reaction equations, we propose decomposition methods and decouple the multi-component models to simpler systems of differential equations. In the numerical experiments we present the computational results of our proposed models.
Abstract: Carbon disulfide is widely used for the production of
viscose rayon, rubber, and other organic materials and it is a
feedstock for the synthesis of sulfuric acid. The objective of this
paper is to analyze possibilities for efficient production of CS2 from
sour natural gas reformation (H2SMR) (2H2S+CH4 =CS2 +4H2) .
Also, the effect of H2S to CH4 feed ratio and reaction temperature on
carbon disulfide production is investigated numerically in a
reforming reactor. The chemical reaction model is based on an
assumed Probability Density Function (PDF) parameterized by the
mean and variance of mixture fraction and β-PDF shape. The results
show that the major factors influencing CS2 production are reactor
temperature. The yield of carbon disulfide increases with increasing
H2S to CH4 feed gas ratio (H2S/CH4≤4). Also the yield of C(s)
increases with increasing temperature until the temperature reaches
to 1000°K, and then due to increase of CS2 production and
consumption of C(s), yield of C(s) drops with further increase in the
temperature. The predicted CH4 and H2S conversion and yield of
carbon disulfide are in good agreement with result of Huang and TRaissi.
Abstract: A large number of chemical, bio-chemical and pollution-control processes use heterogeneous fixed-bed reactors. The use of finite hollow cylindrical catalyst pellets can enhance conversion levels in such reactors. The absence of the pellet core can significantly lower the diffusional resistance associated with the solid phase. This leads to a better utilization of the catalytic material, which is reflected in the higher values for the effectiveness factor, leading ultimately to an enhanced conversion level in the reactor. It is however important to develop a rigorous heterogeneous model for the reactor incorporating the two-dimensional feature of the solid phase owing to the presence of the finite hollow cylindrical catalyst pellet. Presently, heterogeneous models reported in the literature invariably employ one-dimension solid phase models meant for spherical catalyst pellets. The objective of the paper is to present a rigorous model of the fixed-bed reactors containing finite hollow cylindrical catalyst pellets. The reaction kinetics considered here is the widely used Michaelis–Menten kinetics for the liquid-phase bio-chemical reactions. The reaction parameters used here are for the enzymatic degradation of urea. Results indicate that increasing the height to diameter ratio helps to improve the conversion level. On the other hand, decreasing the thickness is apparently not as effective. This could however be explained in terms of the higher void fraction of the bed that causes a smaller amount of the solid phase to be packed in the fixed-bed bio-chemical reactor.
Abstract: One of the most important parts of a cement factory is
the cement rotary kiln which plays a key role in quality and quantity of produced cement. In this part, the physical exertion and bilateral
movement of air and materials, together with chemical reactions take
place. Thus, this system has immensely complex and nonlinear dynamic equations. These equations have not worked out yet. Only
in exceptional case; however, a large number of the involved parameter were crossed out and an approximation model was
presented instead. This issue caused many problems for designing a
cement rotary kiln controller. In this paper, we presented nonlinear predictor and simulator models for a real cement rotary kiln by using
nonlinear identification technique on the Locally Linear Neuro-
Fuzzy (LLNF) model. For the first time, a simulator model as well as
a predictor one with a precise fifteen minute prediction horizon for a
cement rotary kiln is presented. These models are trained by
LOLIMOT algorithm which is an incremental tree-structure
algorithm. At the end, the characteristics of these models are expressed. Furthermore, we presented the pros and cons of these
models. The data collected from White Saveh Cement Company is used for modeling.