Search results for: kinetic modeling
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2248

Search results for: kinetic modeling

2248 The Gasoil Hydrofining Kinetics Constants Identification

Authors: C. Patrascioiu, V. Matei, N. Nicolae

Abstract:

The paper describes the experiments and the kinetic parameters calculus of the gasoil hydrofining. They are presented experimental results of gasoil hidrofining using Mo and promoted with Ni on aluminum support catalyst. The authors have adapted a kinetic model gasoil hydrofining. Using this proposed kinetic model and the experimental data they have calculated the parameters of the model. The numerical calculus is based on minimizing the difference between the experimental sulf concentration and kinetic model estimation.

Keywords: Hydrofining, kinetic, modeling, optimization.

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2247 Kinetic Study of Gluconic Acid Batch Fermentation by Aspergillus niger

Authors: Akbarningrum Fatmawati, Rudy Agustriyanto, Lindawati

Abstract:

Gluconic acid is one of interesting chemical products in industries such as detergents, leather, photographic, textile, and especially in food and pharmaceutical industries. Fermentation is an advantageous process to produce gluconic acid. Mathematical modeling is important in the design and operation of fermentation process. In fact, kinetic data must be available for modeling. The kinetic parameters of gluconic acid production by Aspergillus niger in batch culture was studied in this research at initial substrate concentration of 150, 200 and 250 g/l. The kinetic models used were logistic equation for growth, Luedeking-Piret equation for gluconic acid formation, and Luedeking-Piret-like equation for glucose consumption. The Kinetic parameters in the model were obtained by minimizing non linear least squares curve fitting.

Keywords: Aspergillus niger, fermentation, gluconic acid, kinetic.

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2246 Universal Kinetic Modeling of RAFT Polymerization using Moment Equations

Authors: Mehdi Salami-Kalajahi, Pejman Ganjeh-Anzabi, Vahid Haddadi-Asl, Mohammad Najafi

Abstract:

In the following text, we show that by introducing universal kinetic scheme, the origin of rate retardation and inhibition period which observed in dithiobenzoate-mediated RAFT polymerization can be described properly. We develop our model by utilizing the method of moments, then we apply our model to different monomer/RAFT agent systems, both homo- and copolymerization. The modeling results are in an excellent agreement with experiments and imply the validity of universal kinetic scheme, not only for dithiobenzoate-mediated systems, but also for different types of monomer/RAFT agent ones.

Keywords: RAFT Polymerization, Mechanism, Kinetics, Moment Equations, Modeling.

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2245 Using Artificial Neural Network and Leudeking-Piret Model in the Kinetic Modeling of Microbial Production of Poly-β- Hydroxybutyrate

Authors: A.Qaderi, A. Heydarinasab, M. Ardjmand

Abstract:

Poly-β-hydroxybutyrate (PHB) is one of the most famous biopolymers that has various applications in production of biodegradable carriers. The most important strategy for enhancing efficiency in production process and reducing the price of PHB, is the accurate expression of kinetic model of products formation and parameters that are effective on it, such as Dry Cell Weight (DCW) and substrate consumption. Considering the high capabilities of artificial neural networks in modeling and simulation of non-linear systems such as biological and chemical industries that mainly are multivariable systems, kinetic modeling of microbial production of PHB that is a complex and non-linear biological process, the three layers perceptron neural network model was used in this study. Artificial neural network educates itself and finds the hidden laws behind the data with mapping based on experimental data, of dry cell weight, substrate concentration as input and PHB concentration as output. For training the network, a series of experimental data for PHB production from Hydrogenophaga Pseudoflava by glucose carbon source was used. After training the network, two other experimental data sets that have not intervened in the network education, including dry cell concentration and substrate concentration were applied as inputs to the network, and PHB concentration was predicted by the network. Comparison of predicted data by network and experimental data, indicated a high precision predicted for both fructose and whey carbon sources. Also in present study for better understanding of the ability of neural network in modeling of biological processes, microbial production kinetic of PHB by Leudeking-Piret experimental equation was modeled. The Observed result indicated an accurate prediction of PHB concentration by artificial neural network higher than Leudeking- Piret model.

Keywords: Kinetic Modeling, Poly-β-Hydroxybutyrate (PHB), Hydrogenophaga Pseudoflava, Artificial Neural Network, Leudeking-Piret

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2244 Unified Gas-Kinetic Scheme for Gas-Particle Flow in Shock-Induced Fluidization of Particles Bed

Authors: Zhao Wang, Hong Yan

Abstract:

In this paper, a unified-gas kinetic scheme (UGKS) for the gas-particle flow is constructed. UGKS is a direct modeling method for both continuum and rarefied flow computations. The dynamics of particle and gas are described as rarefied and continuum flow, respectively. Therefore, we use the Bhatnagar-Gross-Krook (BGK) equation for the particle distribution function. For the gas phase, the gas kinetic scheme for Navier-Stokes equation is solved. The momentum transfer between gas and particle is achieved by the acceleration term added to the BGK equation. The new scheme is tested by a 2cm-in-thickness dense bed comprised of glass particles with 1.5mm in diameter, and reasonable agreement is achieved.

Keywords: Gas-particle flow, unified gas-kinetic scheme, momentum transfer, shock-induced fluidization.

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2243 Simulation of Lid Cavity Flow in Rectangular, Half-Circular and Beer Bucket Shapes using Quasi-Molecular Modeling

Authors: S. Kulsri, M. Jaroensutasinee, K. Jaroensutasinee

Abstract:

We developed a new method based on quasimolecular modeling to simulate the cavity flow in three cavity shapes: rectangular, half-circular and bucket beer in cgs units. Each quasi-molecule was a group of particles that interacted in a fashion entirely analogous to classical Newtonian molecular interactions. When a cavity flow was simulated, the instantaneous velocity vector fields were obtained by using an inverse distance weighted interpolation method. In all three cavity shapes, fluid motion was rotated counter-clockwise. The velocity vector fields of the three cavity shapes showed a primary vortex located near the upstream corners at time t ~ 0.500 s, t ~ 0.450 s and t ~ 0.350 s, respectively. The configurational kinetic energy of the cavities increased as time increased until the kinetic energy reached a maximum at time t ~ 0.02 s and, then, the kinetic energy decreased as time increased. The rectangular cavity system showed the lowest kinetic energy, while the half-circular cavity system showed the highest kinetic energy. The kinetic energy of rectangular, beer bucket and half-circular cavities fluctuated about stable average values 35.62 x 103, 38.04 x 103 and 40.80 x 103 ergs/particle, respectively. This indicated that the half-circular shapes were the most suitable shape for a shrimp pond because the water in shrimp pond flows best when we compared with rectangular and beer bucket shape.

Keywords: Quasi-molecular modelling, particle modelling, lid driven cavity flow.

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2242 Establishment of Kinetic Zone Diagrams via Simulated Linear Sweep Voltammograms for Soluble-Insoluble Systems

Authors: Imene Atek, Abed M. Affoune, Hubert Girault, Pekka Peljo

Abstract:

Due to the need for a rigorous mathematical model that can help to estimate kinetic properties for soluble-insoluble systems, through voltammetric experiments, a Nicholson Semi Analytical Approach was used in this work for modeling and prediction of theoretical linear sweep voltammetry responses for reversible, quasi reversible or irreversible electron transfer reactions. The redox system of interest is a one-step metal electrodeposition process. A rigorous analysis of simulated linear scan voltammetric responses following variation of dimensionless factors, the rate constant and charge transfer coefficients in a broad range was studied and presented in the form of the so called kinetic zones diagrams. These kinetic diagrams were divided into three kinetics zones. Interpreting these zones leads to empirical mathematical models which can allow the experimenter to determine electrodeposition reactions kinetics whatever the degree of reversibility. The validity of the obtained results was tested and an excellent experiment–theory agreement has been showed.

Keywords: Electrodeposition, kinetics diagrams, modeling, voltammetry.

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2241 Kinetic Modeling of the Fischer-Tropsch Reactions and Modeling Steady State Heterogeneous Reactor

Authors: M. Ahmadi Marvast, M. Sohrabi, H. Ganji

Abstract:

The rate of production of main products of the Fischer-Tropsch reactions over Fe/HZSM5 bifunctional catalyst in a fixed bed reactor is investigated at a broad range of temperature, pressure, space velocity, H2/CO feed molar ratio and CO2, CH4 and water flow rates. Model discrimination and parameter estimation were performed according to the integral method of kinetic analysis. Due to lack of mechanism development for Fisher – Tropsch Synthesis on bifunctional catalysts, 26 different models were tested and the best model is selected. Comprehensive one and two dimensional heterogeneous reactor models are developed to simulate the performance of fixed-bed Fischer – Tropsch reactors. To reduce computational time for optimization purposes, an Artificial Feed Forward Neural Network (AFFNN) has been used to describe intra particle mass and heat transfer diffusion in the catalyst pellet. It is seen that products' reaction rates have direct relation with H2 partial pressure and reverse relation with CO partial pressure. The results show that the hybrid model has good agreement with rigorous mechanistic model, favoring that the hybrid model is about 25-30 times faster.

Keywords: Fischer-Tropsch, heterogeneous modeling, kinetic study.

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2240 Estimation of Bio-Kinetic Coefficients for Treatment of Brewery Wastewater

Authors: Abimbola M. Enitan, Josiah Adeyemo

Abstract:

Anaerobic modeling is a useful tool to describe and simulate the condition and behaviour of anaerobic treatment units for better effluent quality and biogas generation. The present investigation deals with the anaerobic treatment of brewery wastewater with varying organic loads. The chemical oxygen demand (COD) and total suspended solids (TSS) of the influent and effluent of the bioreactor were determined at various retention times to generate data for kinetic coefficients. The bio-kinetic coefficients in the modified Stover–Kincannon kinetic and methane generation models were determined to study the performance of anaerobic digestion process. At steady-state, the determination of the kinetic coefficient (K), the endogenous decay coefficient (Kd), the maximum growth rate of microorganisms (μmax), the growth yield coefficient (Y), ultimate methane yield (Bo), maximum utilization rate constant Umax and the saturation constant (KB) in the model were calculated to be 0.046 g/g COD, 0.083 (d¯¹), 0.117 (d-¹), 0.357 g/g, 0.516 (L CH4/gCODadded), 18.51 (g/L/day) and 13.64 (g/L/day) respectively. The outcome of this study will help in simulation of anaerobic model to predict usable methane and good effluent quality during the treatment of industrial wastewater. Thus, this will protect the environment, conserve natural resources, saves time and reduce cost incur by the industries for the discharge of untreated or partially treated wastewater. It will also contribute to a sustainable long-term clean development mechanism for the optimization of the methane produced from anaerobic degradation of waste in a close system.

Keywords: Brewery wastewater, methane generation model, environment, anaerobic modeling.

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2239 Gas-Solid Nitrocarburizing of Steels: Kinetic Modeling and Experimental Validation

Authors: L. Torchane

Abstract:

The study is devoted to define the optimal conditions for the nitriding of pure iron at atmospheric pressure by using NH3- Ar-C3H8 gas mixtures. After studying the mechanisms of phase formation and mass transfer at the gas-solid interface, a mathematical model is developed in order to predict the nitrogen transfer rate in the solid, the ε-carbonitride layer growth rate and the nitrogen and carbon concentration profiles. In order to validate the model and to show its possibilities, it is compared with thermogravimetric experiments, analyses and metallurgical observations (X-ray diffraction, optical microscopy and electron microprobe analysis). Results obtained allow us to demonstrate the sound correlation between the experimental results and the theoretical predictions.

Keywords: Gaseous Nitrocarburizing, Kinetic Model, Diffusion, Layer Growth Kinetic.

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2238 A Biomimetic Approach for the Multi-Objective Optimization of Kinetic Façade Design

Authors: Do-Jin Jang, Sung-Ah Kim

Abstract:

A kinetic façade responds to user requirements and environmental conditions.  In designing a kinetic façade, kinetic patterns play a key role in determining its performance. This paper proposes a biomimetic method for the multi-objective optimization for kinetic façade design. The autonomous decentralized control system is combined with flocking algorithm. The flocking agents are autonomously reacting to sensor values and bring about kinetic patterns changing over time. A series of experiments were conducted to verify the potential and limitations of the flocking based decentralized control. As a result, it could show the highest performance balancing multiple objectives such as solar radiation and openness among the comparison group.

Keywords: Biomimicry, flocking algorithm, autonomous decentralized control, multi-objective optimization.

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2237 Ocean Wave Kinetic Energy Harvesting System for Automated Sub Sea Sensors

Authors: Amir Anvar, Dong Yang Li

Abstract:

This paper presents an overview of the Ocean wave kinetic energy harvesting system. Energy harvesting is a concept by which energy is captured, stored, and utilized using various sources by employing interfaces, storage devices, and other units. Ocean wave energy harvesting in which the kinetic and potential energy contained in the natural oscillations of Ocean waves are converted into electric power. The kinetic energy harvesting system could be used for a number of areas. The main applications that we have discussed in this paper are to how generate the energy from Ocean wave energy (kinetic energy) to electric energy that is to eliminate the requirement for continual battery replacement.

Keywords: Energy harvesting, power system, oceanic, sensors, autonomous.

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2236 Kinetic Theory Based CFD Modeling of Particulate Flows in Horizontal Pipes

Authors: Pandaba Patro, Brundaban Patro

Abstract:

The numerical simulation of fully developed gas–solid flow in a horizontal pipe is done using the eulerian-eulerian approach, also known as two fluids modeling as both phases are treated as continuum and inter-penetrating continua. The solid phase stresses are modeled using kinetic theory of granular flow (KTGF). The computed results for velocity profiles and pressure drop are compared with the experimental data. We observe that the convection and diffusion terms in the granular temperature cannot be neglected in gas solid flow simulation along a horizontal pipe. The particle-wall collision and lift also play important role in eulerian modeling. We also investigated the effect of flow parameters like gas velocity, particle properties and particle loading on pressure drop prediction in different pipe diameters. Pressure drop increases with gas velocity and particle loading. The gas velocity has the same effect ((proportional toU2 ) as single phase flow on pressure drop prediction. With respect to particle diameter, pressure drop first increases, reaches a peak and then decreases. The peak is a strong function of pipe bore.

Keywords: CFD, Eulerian modeling, gas solid flow, KTGF.

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2235 Kinetic model and Simulation Analysis for Propane Dehydrogenation in an Industrial Moving Bed Reactor

Authors: Chin S. Y., Radzi, S. N. R., Maharon, I. H., Shafawi, M. A.

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.

Keywords: kinetic model, dehydrogenation, simulation, modeling, propane

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2234 Parametric Studies of Wood Pyrolysis Particles

Authors: W. Afef, A. Mohamed Ammar, G. Kamel, O. Ahmed

Abstract:

In the present study, a numerical approach to describe the pyrolysis of a single solid particle of wood is used to study the influence of various conditions such as particle size, heat transfer coefficient, reactor temperature and heating rate. The influence of these parameters in the change of the duration of the pyrolysis cycle was studied. Mathematical modeling was employed to simulate the heat, mass transfer, and kinetic processes inside the reactor. The evolutions of the mass loss as well as the evolution of temperature inside the thick piece are investigated numerically. The elaborated model was also employed to study the effect of the reactor temperature and the rate of heating on the change of the temperature and the local loss of the mass inside the piece of wood. The obtained results are in good agreement with the experimental data available in the literature.

Keywords: Wood, Pyrolysis, Modeling, Convective heat transfer, Kinetic.

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2233 Influence of the Low Frequency Ultrasound on the Cadmium (II) Biosorption by an Ecofriendly Biocomposite (Extraction Solid Waste of Ammi visnaga / Calcium Alginate): Kinetic Modeling

Authors: L. Nouri Taiba, Y. Bouhamidi, F. Kaouah, Z. Bendjama, M. Trari

Abstract:

In the present study, an ecofriendly biocomposite namely calcium alginate immobilized Ammi Visnaga (Khella) extraction waste (SWAV/CA) was prepared by electrostatic extrusion method and used on the cadmium biosorption from aqueous phase with and without the assistance of ultrasound in batch conditions. The influence of low frequency ultrasound (37 and 80 KHz) on the cadmium biosorption kinetics was studied. The obtained results show that the ultrasonic irradiation significantly enhances and improves the efficiency of the cadmium removal. The Pseudo first order, Pseudo-second-order, Intraparticle diffusion, and Elovich models were evaluated using the non-linear curve fitting analysis method. Modeling of kinetic results shows that biosorption process is best described by the pseudo-second order and Elovich, in both the absence and presence of ultrasound.

Keywords: Biocomposite, biosorption, cadmium, non-linear analysis, ultrasound.

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2232 The Effect of Raindrop Kinetic Energy on Soil Erodibility

Authors: A. Moussouni, L. Mouzai, M. Bouhadef

Abstract:

Soil erosion is a very complex phenomenon, resulting from detachment and transport of soil particles by erosion agents. The kinetic energy of raindrop is the energy available for detachment and transport by splashing rain. The soil erodibility is defined as the ability of soil to resist to erosion. For this purpose, an experimental study was conducted in the laboratory using rainfall simulator to study the effect of the kinetic energy of rain (Ec) on the soil erodibility (K). The soil used was a sandy agricultural soil of 62.08% coarse sand, 19.14% fine sand, 6.39% fine silt, 5.18% coarse silt and 7.21% clay. The obtained results show that the kinetic energy of raindrops evolves as a power law with soil erodibility.

Keywords: Erosion, runoff, raindrop kinetic energy, soil erodibility, rainfall intensity, raindrop fall velocity.

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2231 Application of Nano-Zero Valent Iron for Treating Metolachlor in Aqueous Solution

Authors: P. Suntornchot, T. Satapanajaru, S.D. Comfort

Abstract:

Water, soil and sediment contaminated with metolachlor poses a threat to the environment and human health. We determined the effectiveness of nano-zerovalent iron (NZVI) to dechlorinate metolachlor [2-chloro-n-(2-ethyl-6-methyl-phenyl)-n- (1-methoxypropan-2-yl)acetamide] in pH solution and the presence of aluminium salt. The optimum dosage of degradation of 100 mlL-1 metolachlor was 1% (w/v) NZVI. The degradation kinetic rate (kobs) was 0.218×10-3 min-1 and specific first-order rates (kSA) was 8.72×10-7 L m-2min-1. By treating aqueous solutions of metolachlor with NZVI, metolachlor destruction rate were increased as the pH decrease from 10 to 4. Lowering solution pH removes Fe (III) passivating layers from the NZVI and makes it free for reductive transformations. Destruction kinetic rates were 20.8×10-3 min-1 for pH4, 18.9×10-3 min-1 for pH7, 13.8×10-3 min-1 for pH10. In addition, destruction kinetic of metolachlor by NZVI was enhanced when aluminium sulfate was added. The destruction kinetic rate were 20.4×10-3 min-1 for 0.05% Al(SO4)3 and 60×10-3 min-1 for 0.1% Al(SO4)3.

Keywords: destruction, kinetic rate, metolachlor, nano-zerovalent iron

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2230 Modeling the Time-Dependent Rheological Behavior of Clays Used in Fabrication of Ceramic

Authors: L. Hammadi, N. Boudjenane, R. Houdjedje, R. Reffis, M. Belhadri

Abstract:

In this study, we investigated the thixotropic behavior of two clays used in fabrication of ceramic. The structural kinetic model (SKM) was used to characterize the thixotropic behavior of two different kinds of clays used in fabrication of ceramic. The SKM postulates that the change in the rheological behavior is associated with shear-induced breakdown of the internal structure of the clays. This model for the structure decay with time at constant shear rate assumes nth order kinetics for the decay of the material structure with a rate constant.

Keywords: Ceramic, clays, structural kinetic model, thixotropy, viscosity.

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2229 Therapeutic Product Preparation Bioprocess Modeling

Authors: Mihai Caramihai, Irina Severin, Ana Aurelia Chirvase, Adrian Onu, Cristina Tanase, Camelia Ungureanu

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.

Keywords: bioprocess modeling, Pseudomonas aeruginosa, kinetic models,

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2228 Mass Transfer Modeling of Nitrate in an Ion Exchange Selective Resin

Authors: A. A. Hekmatzadeh, A. Karimi-Jashani, N. Talebbeydokhti

Abstract:

The rate of nitrate adsorption by a nitrate selective ion exchange resin was investigated in a well-stirred batch experiments. The kinetic experimental data were simulated with diffusion models including external mass transfer, particle diffusion and chemical adsorption. Particle pore volume diffusion and particle surface diffusion were taken into consideration separately and simultaneously in the modeling. The model equations were solved numerically using the Crank-Nicholson scheme. An optimization technique was employed to optimize the model parameters. All nitrate concentration decay data were well described with the all diffusion models. The results indicated that the kinetic process is initially controlled by external mass transfer and then by particle diffusion. The external mass transfer coefficient and the coefficients of pore volume diffusion and surface diffusion in all experiments were close to each other with the average value of 8.3×10-3 cm/S for external mass transfer coefficient. In addition, the models are more sensitive to the mass transfer coefficient in comparison with particle diffusion. Moreover, it seems that surface diffusion is the dominant particle diffusion in comparison with pore volume diffusion.

Keywords: External mass transfer, pore volume diffusion, surface diffusion, mass action law isotherm.

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2227 Bridging the Mental Gap between Convolution Approach and Compartmental Modeling in Functional Imaging: Typical Embedding of an Open Two-Compartment Model into the Systems Theory Approach of Indicator Dilution Theory

Authors: Gesine Hellwig

Abstract:

Functional imaging procedures for the non-invasive assessment of tissue microcirculation are highly requested, but require a mathematical approach describing the trans- and intercapillary passage of tracer particles. Up to now, two theoretical, for the moment different concepts have been established for tracer kinetic modeling of contrast agent transport in tissues: pharmacokinetic compartment models, which are usually written as coupled differential equations, and the indicator dilution theory, which can be generalized in accordance with the theory of lineartime- invariant (LTI) systems by using a convolution approach. Based on mathematical considerations, it can be shown that also in the case of an open two-compartment model well-known from functional imaging, the concentration-time course in tissue is given by a convolution, which allows a separation of the arterial input function from a system function being the impulse response function, summarizing the available information on tissue microcirculation. Due to this reason, it is possible to integrate the open two-compartment model into the system-theoretic concept of indicator dilution theory (IDT) and thus results known from IDT remain valid for the compartment approach. According to the long number of applications of compartmental analysis, even for a more general context similar solutions of the so-called forward problem can already be found in the extensively available appropriate literature of the seventies and early eighties. Nevertheless, to this day, within the field of biomedical imaging – not from the mathematical point of view – there seems to be a trench between both approaches, which the author would like to get over by exemplary analysis of the well-known model.

Keywords: Functional imaging, Tracer kinetic modeling, LTIsystem, Indicator dilution theory / convolution approach, Two-Compartment model.

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2226 Mathematical modeling of Bi-Substrate Enzymatic Reactions with Ping-Pong Mechanism in the Presence of Competitive Inhibitors

Authors: Rafayel A. Azizyan, Aram E. Gevogyan, Valeri B. Arakelyan, Emil S. Gevorgyan

Abstract:

The mathematical modeling of different biological processes is usually used to predict or assess behavior of systems in which these processes take place. This study deals with mathematical and computer modeling of bi-substrate enzymatic reactions with ping-pong mechanism, which play an important role in different biochemical pathways. Besides that, three models of competitive inhibition were designed using different software packages. The main objective of this study is to represent the results from in silico investigation of bi-substrate enzymatic reactions with ordered pingpong mechanism in the presence of competitive inhibitors, as well as to describe in details the inhibition effects. The simulation of the models with certain kinetic parameters allowed investigating the behavior of reactions as well as determined some interesting aspects concerning influence of different cases of competitive inhibition. Simultaneous presence of two inhibitors, competitive to the S1 and S2 substrates have been studied. Moreover, we have found the pattern of simultaneous influence of both inhibitors.

Keywords: Mathematical modeling, bi-substrate enzymatic reactions, ping-pong mechanism, competitive inhibition.

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2225 Kinetic Studies on Microbial Production of Tannase Using Redgram Husk

Authors: S. K. Mohan, T. Viruthagiri, C. Arunkumar

Abstract:

Tannase (tannin acyl hydrolase, E.C.3.1.1.20) is an important hydrolysable enzyme with innumerable applications and industrial potential. In the present study, a kinetic model has been developed for the batch fermentation used for the production of tannase by A.flavus MTCC 3783. Maximum tannase activity of 143.30 U/ml was obtained at 96 hours under optimum operating conditions at 35oC, an initial pH of 5.5 and with an inducer tannic acid concentration of 3% (w/v) for a fermentation period of 120 hours. The biomass concentration reaches a maximum of 6.62 g/l at 96 hours and further there was no increase in biomass concentration till the end of the fermentation. Various unstructured kinetic models were analyzed to simulate the experimental values of microbial growth, tannase activity and substrate concentration. The Logistic model for microbial growth , Luedeking - Piret model for production of tannase and Substrate utilization kinetic model for utilization of substrate were capable of predicting the fermentation profile with high coefficient of determination (R2) values of 0.980, 0.942 and 0.983 respectively. The results indicated that the unstructured models were able to describe the fermentation kinetics more effectively.

Keywords: Aspergillus flavus, Batch fermentation, Kinetic model, Tannase, Unstructured models.

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2224 Biosorption of Azo Dye Reactive Black B onto Nonviable Biomass of Cladosporium cladosporioides LM1: Thermodynamic, Kinetic and Equilibrium Modeling

Authors: L. A. S. Dionel, B. A. P. Santos, V. C. P. Lopes, L. G. Vasconcelos, M. A. Soares, E. B. Morais

Abstract:

This study investigated the biosorption of the azo dye reactive Black B (RBB) from aqueous solution using the nonviable biomass of Cladosporium cladosporioides LM1. The biosorption systems were carried out in batch mode considering different conditions of initial pH, contact time, temperature, initial dye concentration and biosorbent dosage. Higher removal rate of RBB was obtained at pH 2. Biosorption data were successfully described by pseudo-second-order kinetic model and Langmuir isotherm model with the maximum monolayer biosorption capacity estimated at 71.43 mg/g. The values of thermodynamic parameters such as ∆G°, ∆H° and ∆S° indicated that the biosorption of RBB onto fungal biomass was spontaneous and exothermic in nature. It can be concluded that nonviable biomass of Cladosporium cladosporioides LM1 may be an attractive low-cost biosorbent for the removal of azo dye RBB from aqueous solution.

Keywords: Color removal, isotherms and kinetics models, thermodynamic studies, fungus.

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2223 Estimating Enzyme Kinetic Parameters from Apparent KMs and Vmaxs

Authors: Simon Brown, Noorzaid Muhamad, David C Simcock

Abstract:

The kinetic properties of enzymes are often reported using the apparent KM and Vmax appropriate to the standard Michaelis-Menten enzyme. However, this model is inappropriate to enzymes that have more than one substrate or where the rate expression does not apply for other reasons. Consequently, it is desirable to have a means of estimating the appropriate kinetic parameters from the apparent values of KM and Vmax reported for each substrate. We provide a means of estimating the range within which the parameters should lie and apply the method to data for glutamate dehydrogenase from the nematode parasite of sheep Teladorsagia circumcincta.

Keywords: enzyme kinetics, glutamate dehydrogenase, intervalanalysis, parameter estimation.

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2222 Equilibrium and Kinetic Studies of Lead Adsorption on Activated Carbon Derived from Mangrove Propagule Waste by Phosphoric Acid Activation

Authors: Widi Astuti, Rizki Agus Hermawan, Hariono Mukti, Nurul Retno Sugiyono

Abstract:

The removal of lead ion (Pb2+) from aqueous solution by activated carbon with phosphoric acid activation employing mangrove propagule as precursor was investigated in a batch adsorption system. Batch studies were carried out to address various experimental parameters including pH and contact time. The Langmuir and Freundlich models were able to describe the adsorption equilibrium, while the pseudo first order and pseudo second order models were used to describe kinetic process of Pb2+ adsorption. The results show that the adsorption data are seen in accordance with Langmuir isotherm model and pseudo-second order kinetic model.

Keywords: Activated carbon, adsorption, equilibrium, kinetic, Pb2+, mangrove propagule.

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2221 Kinetic, Thermodynamic and Process Modeling of Synthesis of UV Curable Glyceryl and Neopentyl Glycol Acrylates

Authors: R. D. Kulkarni, Mayur Chaudhari, S. Mishra

Abstract:

Curing of paints by exposure to UV radiations is emerging as one of the best film forming technique as an alternative to traditional solvent borne oxidative and thermal curing coatings. The composition and chemistry of UV curable coatings and role of multifunctional and monofunctional monomers, oligomers, and photoinitiators have been discussed. The limitations imposed by thermodynamic equilibrium and tendency for acrylic double bond polymerizations during synthesis of multifunctional acrylates have been presented. Aim of present investigation was thus to explore the reaction variables associated with synthesis of multifunctional acrylates. Zirconium oxychloride was evaluated as catalyst against regular acid functional catalyst. The catalyzed synthesis of glyceryl acrylate and neopentyl glycol acrylate was conducted by variation of following reaction parameters: two different reactant molar ratios- 1:4 and 1:6; catalyst usage in % by moles on polyol- 2.5, 5.0 and 7.5 and two different reaction temperatures- 45 and 75 0C. The reaction was monitored by determination of acid value and hydroxy value at regular intervals, besides TLC, HPLC, and FTIR analysis of intermediates and products. On the basis of determination of reaction progress over 1-60 hrs, the esterification reaction was observed to follow 2nd order kinetics with rate constant varying from 1*10-4 to 7*10-4. The thermal and catalytic components of second order rate constant and energy of activation were also determined. Uses of these kinetic and thermodynamic parameters in design of reactor for manufacture of multifunctional acrylate ester have been presented. The synthesized multifunctional acrylates were used to formulate and apply UV curable clear coat followed by determination of curing characteristics and mechanical properties of cured film. The overall curing rates less than 05 min. were easily attained indicating economical viability of radiation curable system due to faster production schedules

Keywords: glyceryl acrylate, neopentyl glycol acrylate, kinetic modeling, zirconium oxychloride.

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2220 Design and Analysis of an Automobile Bumper with the Capacity of Energy Release Using GMT Materials

Authors: A.R. Mortazavi Moghaddam, M. T. Ahmadian

Abstract:

Bumpers play an important role in preventing the impact energy from being transferred to the automobile and passengers. Saving the impact energy in the bumper to be released in the environment reduces the damages of the automobile and passengers. The goal of this paper is to design a bumper with minimum weight by employing the Glass Material Thermoplastic (GMT) materials. This bumper either absorbs the impact energy with its deformation or transfers it perpendicular to the impact direction. To reach this aim, a mechanism is designed to convert about 80% of the kinetic impact energy to the spring potential energy and release it to the environment in the low impact velocity according to American standard1. In addition, since the residual kinetic energy will be damped with the infinitesimal elastic deformation of the bumper elements, the passengers will not sense any impact. It should be noted that in this paper, modeling, solving and result-s analysis are done in CATIA, LS-DYNA and ANSYS V8.0 software respectively.

Keywords: Bumper, Composite material, Energy Release, GMT, Impact

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2219 Development of a Kinetic Model for the Photodegradation of 4-Chlorophenol using a XeBr Excilamp

Authors: M. Gomez, M. D. Murcia, E. Gomez, J. L. Gomez, N. Christofi

Abstract:

Excilamps are new UV sources with great potential for application in wastewater treatment. In the present work, a XeBr excilamp emitting radiation at 283 nm has been used for the photodegradation of 4-chlorophenol within a range of concentrations from 50 to 500 mg L-1. Total removal of 4-chlorophenol was achieved for all concentrations assayed. The two main photoproduct intermediates formed along the photodegradation process, benzoquinone and hydroquinone, although not being completely removed, remain at very low residual concentrations. Such concentrations are insignificant compared to the 4-chlorophenol initial ones and non-toxic. In order to simulate the process and scaleup, a kinetic model has been developed and validated from the experimental data.

Keywords: 4-chlorophenol, excilamps, kinetic model, photodegradation.

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