Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 23

Search results for: diffusion coefficient

23 Speciation Analysis by Solid-Phase Microextraction and Application to Atrazine

Authors: K. Benhabib, X. Pierens, V-D Nguyen, G. Mimanne

Abstract:

The main hypothesis of the dynamics of solid phase microextraction (SPME) is that steady-state mass transfer is respected throughout the SPME extraction process. It considers steady-state diffusion is established in the two phases and fast exchange of the analyte at the solid phase film/water interface. An improved model is proposed in this paper to handle with the situation when the analyte (atrazine) is in contact with colloid suspensions (carboxylate latex in aqueous solution). A mathematical solution is obtained by substituting the diffusion coefficient by the mean of diffusion coefficient between analyte and carboxylate latex, and also thickness layer by the mean thickness in aqueous solution. This solution provides an equation relating the extracted amount of the analyte to the extraction a little more complicated than previous models. It also gives a better description of experimental observations. Moreover, the rate constant of analyte obtained is in satisfactory agreement with that obtained from the initial curve fitting.

Keywords: Pesticide, steady state, SPME methods, polyacrylate

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22 Resistance to Chloride Penetration of High Strength Self-Compacting Concretes: Pumice and Zeolite Effect

Authors: Kianoosh Samimi, Siham Kamali-Bernard, Ali Akbar Maghsoudi

Abstract:

This paper aims to contribute to the characterization and the understanding of fresh state, compressive strength and chloride penetration tendency of high strength self-compacting concretes (HSSCCs) where Portland cement type II is partially substituted by 10% and 15% of natural pumice and zeolite. First, five concrete mixtures with a control mixture without any pozzolan are prepared and tested in both fresh and hardened states. Then, resistance to chloride penetration for all formulation is investigated in non-steady state and steady state by measurement of chloride penetration and diffusion coefficient. In non-steady state, the correlation between initial current and chloride penetration with diffusion coefficient is studied. Moreover, the relationship between diffusion coefficient in non-steady state and electrical resistivity is determined. The concentration of free chloride ions is also measured in steady state. Finally, chloride penetration for all formulation is studied in immersion and tidal condition. The result shows that, the resistance to chloride penetration for HSSCC in immersion and tidal condition increases by incorporating pumice and zeolite. However, concrete with zeolite displays a better resistance. This paper shows that the HSSCC with 15% pumice and 10% zeolite is suitable in fresh, hardened, and durability characteristics.

Keywords: Immersion, Zeolite, pumice, Chloride penetration, HSSCC, tidal

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21 Depth-Averaged Modelling of Erosion and Sediment Transport in Free-Surface Flows

Authors: Thomas Rowan, Mohammed Seaid

Abstract:

A fast finite volume solver for multi-layered shallow water flows with mass exchange and an erodible bed is developed. This enables the user to solve a number of complex sediment-based problems including (but not limited to), dam-break over an erodible bed, recirculation currents and bed evolution as well as levy and dyke failure. This research develops methodologies crucial to the under-standing of multi-sediment fluvial mechanics and waterway design. In this model mass exchange between the layers is allowed and, in contrast to previous models, sediment and fluid are able to transfer between layers. In the current study we use a two-step finite volume method to avoid the solution of the Riemann problem. Entrainment and deposition rates are calculated for the first time in a model of this nature. In the first step the governing equations are rewritten in a non-conservative form and the intermediate solutions are calculated using the method of characteristics. In the second stage, the numerical fluxes are reconstructed in conservative form and are used to calculate a solution that satisfies the conservation property. This method is found to be considerably faster than other comparative finite volume methods, it also exhibits good shock capturing. For most entrainment and deposition equations a bed level concentration factor is used. This leads to inaccuracies in both near bed level concentration and total scour. To account for diffusion, as no vertical velocities are calculated, a capacity limited diffusion coefficient is used. The additional advantage of this multilayer approach is that there is a variation (from single layer models) in bottom layer fluid velocity: this dramatically reduces erosion, which is often overestimated in simulations of this nature using single layer flows. The model is used to simulate a standard dam break. In the dam break simulation, as expected, the number of fluid layers utilised creates variation in the resultant bed profile, with more layers offering a higher deviation in fluid velocity . These results showed a marked variation in erosion profiles from standard models. The overall the model provides new insight into the problems presented at minimal computational cost.

Keywords: Sediment Transport, erosion, finite volume method, shallow water equations

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20 Turing Pattern in the Oregonator Revisited

Authors: Elragig Aiman, Dreiwi Hanan, Townley Stuart, Elmabrook Idriss

Abstract:

In this paper, we reconsider the analysis of the Oregonator model. We highlight an error in this analysis which leads to an incorrect depiction of the parameter region in which diffusion driven instability is possible. We believe that the cause of the oversight is the complexity of stability analyses based on eigenvalues and the dependence on parameters of matrix minors appearing in stability calculations. We regenerate the parameter space where Turing patterns can be seen, and we use the common Lyapunov function (CLF) approach, which is numerically reliable, to further confirm the dependence of the results on diffusion coefficients intensities.

Keywords: diffusion driven instability, turing pattern, positive-definite matrix, common Lyapunov function (CLF)

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19 The Long-Term Leaching Behaviour of 137Cs, 60Co and 152Eu Radionuclides Incorporated in Mortar Matrices Made from Natural Aggregates and Recycled Aggregates

Authors: R. Deju, M. Mincu, D. Gurau

Abstract:

During the interim storage or final disposal of low level waste, migration/diffusion of radionuclides can occur when the waste comes in contact with water. The long-term leaching behaviour into surrounding fluid (demineralized water) of 137Cs, 60Co and 152Eu radionuclides, artificially incorporated in mortar matrices made from natural aggregates (river sand) and recycled radioactive concrete was studied. Results presented in this work are obtained in two years of mortar testing and will be used for the safety increasing in the storage of low level radioactive waste. The study involved the influence of curing time, type and size distribution of the aggregates on leaching behaviour. The mortar samples were immersed in distilled water for 30 days. The leached activity of the mortar samples was measured on samples from the immersing water and analyzed through a gamma-ray spectrometry method using an HPGe detector with a GESPECOR code for efficiency evaluation. The long-term leaching behaviour of the radionuclides was evaluated from the leaching data calculating the apparent diffusion coefficient.

Keywords: Waste Management, Gamma-ray spectrometry, Leaching behaviour, recycling of radioactive concrete

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18 Offline Parameter Identification and State-of-Charge Estimation for Healthy and Aged Electric Vehicle Batteries Based on the Combined Model

Authors: Xiaowei Zhang, Min Xu, Saeid Habibi, Fengjun Yan, Ryan Ahmed

Abstract:

Recently, Electric Vehicles (EVs) have received extensive consideration since they offer a more sustainable and greener transportation alternative compared to fossil-fuel propelled vehicles. Lithium-Ion (Li-ion) batteries are increasingly being deployed in EVs because of their high energy density, high cell-level voltage, and low rate of self-discharge. Since Li-ion batteries represent the most expensive component in the EV powertrain, accurate monitoring and control strategies must be executed to ensure their prolonged lifespan. The Battery Management System (BMS) has to accurately estimate parameters such as the battery State-of-Charge (SOC), State-of-Health (SOH), and Remaining Useful Life (RUL). In order for the BMS to estimate these parameters, an accurate and control-oriented battery model has to work collaboratively with a robust state and parameter estimation strategy. Since battery physical parameters, such as the internal resistance and diffusion coefficient change depending on the battery state-of-life (SOL), the BMS has to be adaptive to accommodate for this change. In this paper, an extensive battery aging study has been conducted over 12-months period on 5.4 Ah, 3.7 V Lithium polymer cells. Instead of using fixed charging/discharging aging cycles at fixed C-rate, a set of real-world driving scenarios have been used to age the cells. The test has been interrupted every 5% capacity degradation by a set of reference performance tests to assess the battery degradation and track model parameters. As battery ages, the combined model parameters are optimized and tracked in an offline mode over the entire batteries lifespan. Based on the optimized model, a state and parameter estimation strategy based on the Extended Kalman Filter (EKF) and the relatively new Smooth Variable Structure Filter (SVSF) have been applied to estimate the SOC at various states of life.

Keywords: Lithium-Ion Batteries, genetic algorithm optimization, battery aging test, and parameter identification

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17 Quantum Statistical Mechanical Formulations of Three-Body Problems via Non-Local Potentials

Authors: A. Maghari, V. H. Maleki

Abstract:

In this paper, we present a quantum statistical mechanical formulation from our recently analytical expressions for partial-wave transition matrix of a three-particle system. We report the quantum reactive cross sections for three-body scattering processes 1+(2,3)→1+(2,3) as well as recombination 1+(2,3)→1+(3,1) between one atom and a weakly-bound dimer. The analytical expressions of three-particle transition matrices and their corresponding cross-sections were obtained from the threedimensional Faddeev equations subjected to the rank-two non-local separable potentials of the generalized Yamaguchi form. The equilibrium quantum statistical mechanical properties such partition function and equation of state as well as non-equilibrium quantum statistical properties such as transport cross-sections and their corresponding transport collision integrals were formulated analytically. This leads to obtain the transport properties, such as viscosity and diffusion coefficient of a moderate dense gas.

Keywords: Statistical Mechanics, nonlocal separable potential, three-body interaction, faddeev equations

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16 Mechanical Properties and Chloride Diffusion of Ceramic Waste Aggregate Mortar Containing Ground Granulated Blast–Furnace Slag

Authors: H. Higashiyama, M. Sappakittipakorn, M. Mizukoshi, O. Takahashi

Abstract:

Ceramic Waste Aggregates (CWAs) were made from electric porcelain insulator wastes supplied from an electric power company, which were crushed and ground to fine aggregate sizes. In this study, to develop the CWA mortar as an eco–efficient, ground granulated blast–furnace slag (GGBS) as a Supplementary Cementitious Material (SCM) was incorporated. The water–to–binder ratio (W/B) of the CWA mortars was varied at 0.4, 0.5, and 0.6. The cement of the CWA mortar was replaced by GGBS at 20 and 40% by volume (at about 18 and 37% by weight). Mechanical properties of compressive and splitting tensile strengths, and elastic modulus were evaluated at the age of 7, 28, and 91 days. Moreover, the chloride ingress test was carried out on the CWA mortars in a 5.0% NaCl solution for 48 weeks. The chloride diffusion was assessed by using an electron probe microanalysis (EPMA). To consider the relation of the apparent chloride diffusion coefficient and the pore size, the pore size distribution test was also performed using a mercury intrusion porosimetry at the same time with the EPMA. The compressive strength of the CWA mortars with the GGBS was higher than that without the GGBS at the age of 28 and 91 days. The resistance to the chloride ingress of the CWA mortar was effective in proportion to the GGBS replacement level.

Keywords: GGBS, ceramic waste aggregate, chloride diffusion, pore size distribution

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15 CFD Analysis of Multi-Phase Reacting Transport Phenomena in Discharge Process of Non-Aqueous Lithium-Air Battery

Authors: Jinliang Yuan, Jong-Sung Yu, Bengt Sundén

Abstract:

A computational fluid dynamics (CFD) model is developed for rechargeable non-aqueous electrolyte lithium-air batteries with a partial opening for oxygen supply to the cathode. Multi-phase transport phenomena occurred in the battery are considered, including dissolved lithium ions and oxygen gas in the liquid electrolyte, solid-phase electron transfer in the porous functional materials and liquid-phase charge transport in the electrolyte. These transport processes are coupled with the electrochemical reactions at the active surfaces, and effects of discharge reaction-generated solid Li2O2 on the transport properties and the electrochemical reaction rate are evaluated and implemented in the model. The predicted results are discussed and analyzed in terms of the spatial and transient distribution of various parameters, such as local oxygen concentration, reaction rate, variable solid Li2O2 volume fraction and porosity, as well as the effective diffusion coefficients. It is found that the effect of the solid Li2O2 product deposited at the solid active surfaces is significant on the transport phenomena and the overall battery performance.

Keywords: Modeling, Transport Phenomena, computational fluid dynamics (CFD), multi-phase, lithium-air battery

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14 Microbubbles Enhanced Synthetic Phorbol Ester Degradation by Ozonolysis

Authors: Kuvshinov, D., Siswanto, A., Zimmerman, W. B.

Abstract:

A phorbol-12-myristate-13-acetate (TPA) is a synthetic analogue of phorbol ester (PE), a natural toxic compound of Euphorbiaceae plant. The oil extracted from plants of this family is useful source for primarily biofuel. However this oil might also be used as a foodstuff due to its significant nutrition content. The limitations for utilizing the oil as a foodstuff are mainly due to a toxicity of PE. Currently, a majority of PE detoxification processes are expensive as include multi steps alcohol extraction sequence.

Ozone is considered as a strong oxidative agent. It reacts with PE by attacking the carbon-carbon double bond of PE. This modification of PE molecular structure yields a non toxic ester with high lipid content.

This report presents data on development of simple and cheap PE detoxification process with water application as a buffer and ozone as reactive component. The core of this new technique is an application for a new microscale plasma unit to ozone production and the technology permits ozone injection to the water-TPA mixture in form of microbubbles.

The efficacy of a heterogeneous process depends on the diffusion coefficient which can be controlled by contact time and interfacial area. The low velocity of rising microbubbles and high surface to volume ratio allow efficient mass transfer to be achieved during the process. Direct injection of ozone is the most efficient way to process with such highly reactive and short lived chemical.

Data on the plasma unit behavior are presented and the influence of gas oscillation technology on the microbubble production mechanism has been discussed. Data on overall process efficacy for TPA degradation is shown.

Keywords: Ozonolysis, microbubble, synthetic phorbol ester

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13 Interaction of Building Stones with Inorganic Water-Soluble Salts

Authors: Z. Pavlík, J. Žumár, M. Pavlíková, R. Černý

Abstract:

Interaction of inorganic water-soluble salts and building stones is studied in the paper. Two types of sandstone and one type of spongillite as representatives of materials used in historical masonry are subjected to experimental testing. Within the performed experiments, measurement of moisture and chloride concentration profiles is done in order to get input data for computational inverse analysis. Using the inverse analysis, moisture diffusivity and chloride diffusion coefficient of investigated materials are accessed. Additionally, the effect of salt presence on water vapor storage is investigated using dynamic vapor sorption device. The obtained data represents valuable information for restoration of historical masonry and give evidence on the performance of studied stones in contact with water soluble salts.

Keywords: sandstone, moisture diffusivity, Moisture and chloride transport, spongillite, chloride diffusion coefficient

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12 Investigation of Water Vapour Transport Properties of Gypsum Using Genetic Algorithm

Authors: Z. Pavlík, J. Žumár, M. Pavlíková, J. Kočí, R. Černý

Abstract:

Water vapour transport properties of gypsum block are studied in dependence on relative humidity using inverse analysis based on genetic algorithm. The computational inverse analysis is performed for the relative humidity profiles measured along the longitudinal axis of a rod sample. Within the performed transient experiment, the studied sample is exposed to two environments with different relative humidity, whereas the temperature is kept constant. For the basic gypsum characterisation and for the assessment of input material parameters necessary for computational application of genetic algorithm, the basic material properties of gypsum are measured as well as its thermal and water vapour storage parameters. On the basis of application of genetic algorithm, the relative humidity dependent water vapour diffusion coefficient and water vapour diffusion resistance factor are calculated.

Keywords: Genetic Algorithm, Water vapour transport, gypsum block, transient experiment

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11 Mechanical and Hydric Properties of High- Performance Concrete Containing Natural Zeolites

Authors: E. Vejmelková, M. Ondráček, R. Černý

Abstract:

Mechanical and water transport properties of high performance concrete (HPC) containing natural zeolite as partial replacement of Portland cement are studied. Experimental results show that in the investigated mixes the use of natural zeolite leads to an increase of porosity, decrease of compressive strength and increase of moisture diffusivity and water vapor diffusion coefficient, as compared with the reference HPC. However, for the replacement level up to 20% of the mass of Portland cement the concretes still maintain their high performance character and exhibit acceptable water transport properties. Therefore, natural zeolite can be considered an environmental friendly binder with a potential to replace a part of Portland cement in concrete in building industry.

Keywords: Mechanical Properties, natural zeolites, high-performance concrete; hydric properties

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10 Analysis of a Spatiotemporal Phytoplankton Dynamics: Higher Order Stability and Pattern Formation

Authors: Randhir Singh Baghel, Joydip Dhar, Renu Jain

Abstract:

In this paper, for the understanding of the phytoplankton dynamics in marine ecosystem, a susceptible and an infected class of phytoplankton population is considered in spatiotemporal domain. Here, the susceptible phytoplankton is growing logistically and the growth of infected phytoplankton is due to the instantaneous Holling type-II infection response function. The dynamics are studied in terms of the local and global stabilities for the system and further explore the possibility of Hopf -bifurcation, taking the half saturation period as (i.e., ) the bifurcation parameter in temporal domain. It is also observe that the reaction diffusion system exhibits spatiotemporal chaos and pattern formation in phytoplankton dynamics, which is particularly important role play for the spatially extended phytoplankton system. Also the effect of the diffusion coefficient on the spatial system for both one and two dimensional case is obtained. Furthermore, we explore the higher-order stability analysis of the spatial phytoplankton system for both linear and no-linear system. Finally, few numerical simulations are carried out for pattern formation.

Keywords: Chaos, Pattern Formation, global stability, local stability, reaction-diffusion system, Hopf-bifurcation, Phytoplankton dynamics, Higher-order stability analysis

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9 Closed Form Solution to problem of Calcium Diffusion in Cylindrical Shaped Neuron Cell

Authors: Amrita Tripathi, Neeru Adlakha

Abstract:

Calcium [Ca2+] dynamics is studied as a potential form of neuron excitability that can control many irregular processes like metabolism, secretion etc. Ca2+ ion enters presynaptic terminal and increases the synaptic strength and thus triggers the neurotransmitter release. The modeling and analysis of calcium dynamics in neuron cell becomes necessary for deeper understanding of the processes involved. A mathematical model has been developed for cylindrical shaped neuron cell by incorporating physiological parameters like buffer, diffusion coefficient, and association rate. Appropriate initial and boundary conditions have been framed. The closed form solution has been developed in terms of modified Bessel function. A computer program has been developed in MATLAB 7.11 for the whole approach.

Keywords: reaction diffusion equation, diffusion coefficient, Laplace transform, Modified Bessel function, excess buffer, calcium influx

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8 Using the V-Sphere Code for the Passive Scalar in the Wake of a Bluff Body

Authors: Y. Obikane, T. Nemoto , K. Ogura, M. Iwata, K. Ono

Abstract:

The objective of this research was to find the diffusion properties of vehicles on the road by using the V-Sphere Code. The diffusion coefficient and the size of the height of the wake were estimated with the LES option and the third order MUSCL scheme. We evaluated the code with the changes in the moments of Reynolds Stress along the mean streamline. The results show that at the leading part of a bluff body the LES has some advantages over the RNS since the changes in the strain rates are larger for the leading part. We estimated that the diffusion coefficient with the computed Reynolds stress (non-dimensional) was about 0.96 times the mean velocity.

Keywords: wake, bluff body, V-CAD, turbulence diffusion

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7 Finite Volume Model to Study the Effect of Buffer on Cytosolic Ca2+ Advection Diffusion

Authors: Brajesh Kumar Jha, Neeru Adlakha, M. N. Mehta

Abstract:

Calcium [Ca2+] is an important second messenger which plays an important role in signal transduction. There are several parameters that affect its concentration profile like buffer source etc. The effect of stationary immobile buffer on Ca2+ concentration has been incorporated which is a very important parameter needed to be taken into account in order to make the model more realistic. Interdependence of all the important parameters like diffusion coefficient and influx over [Ca2+] profile has been studied. Model is developed in the form of advection diffusion equation together with buffer concentration. A program has been developed using finite volume method for the entire problem and simulated on an AMD-Turion 32-bit machine to compute the numerical results.

Keywords: buffer, FVM, astrocytes, Ca2+ Profile, Advection Diffusion

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6 Preserving Melon by Osmotic Dehydration in a Ternary System

Authors: R. Aminzadeh, M. Abarzani, J. Sargolzaei

Abstract:

In this study, the kinetics of osmotic dehydration of melons (Tille variety) in a ternary system followed by air-drying for preserving melons in the summer to be used in the winter were investigated. The effect of different osmotic solution concentrations 30, 40 and 50% (w/w) of sucrose with 10% NaCl salt and fruit to solution ratios 1:4, 1:5 and 1:6 on the mass transfer kinetics during osmotic dehydration of melon in ternary solution namely sucrosesalt- water followed by air-drying were studied. The diffusivity of water during air-drying was enhanced after the fruit samples were immersed in the osmotic solution after 60 min. Samples non-treated and pre-treated during one hour in osmotic solutions with 60% (w/w) of sucrose with 10% NaCl salt and fruit to solution ratio of 1:4 were dried in a hot air-dryer at 60oC (2 m/s) until equilibrium was achieved.

Keywords: osmotic dehydration, Melon, Air drying, Effective diffusion coefficient, Mass transfer kinetic

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5 Mass Transfer Modeling in a Packed Bed of Palm Kernels under Supercritical Conditions

Authors: I. Norhuda, A. K. Mohd Omar

Abstract:

Studies on gas solid mass transfer using Supercritical fluid CO2 (SC-CO2) in a packed bed of palm kernels was investigated at operating conditions of temperature 50 °C and 70 °C and pressures ranges from 27.6 MPa, 34.5 MPa, 41.4 MPa and 48.3 MPa. The development of mass transfer models requires knowledge of three properties: the diffusion coefficient of the solute, the viscosity and density of the Supercritical fluids (SCF). Matematical model with respect to the dimensionless number of Sherwood (Sh), Schmidt (Sc) and Reynolds (Re) was developed. It was found that the model developed was found to be in good agreement with the experimental data within the system studied.

Keywords: mass transfer, Palm Kernel, Supercritical fluid

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4 Adaptive Bidirectional Flow for Image Interpolation and Enhancement

Authors: Shujun Fu, Qiuqi Ruan, Wenqia Wang

Abstract:

Image interpolation is a common problem in imaging applications. However, most interpolation algorithms in existence suffer visually the effects of blurred edges and jagged artifacts in the image to some extent. This paper presents an adaptive feature preserving bidirectional flow process, where an inverse diffusion is performed to sharpen edges along the normal directions to the isophote lines (edges), while a normal diffusion is done to remove artifacts (“jaggies") along the tangent directions. In order to preserve image features such as edges, corners and textures, the nonlinear diffusion coefficients are locally adjusted according to the directional derivatives of the image. Experimental results on synthetic images and nature images demonstrate that our interpolation algorithm substantially improves the subjective quality of the interpolated images over conventional interpolations.

Keywords: anisotropic diffusion, Image interpolation, Edge enhancement, directional derivatives, bidirectional flow, inverse flow, shock filter

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3 Modeling and Simulating Reaction-Diffusion Systems with State-Dependent Diffusion Coefficients

Authors: Paola Lecca, Lorenzo Dematte, Corrado Priami

Abstract:

The present models and simulation algorithms of intracellular stochastic kinetics are usually based on the premise that diffusion is so fast that the concentrations of all the involved species are homogeneous in space. However, recents experimental measurements of intracellular diffusion constants indicate that the assumption of a homogeneous well-stirred cytosol is not necessarily valid even for small prokaryotic cells. In this work a mathematical treatment of diffusion that can be incorporated in a stochastic algorithm simulating the dynamics of a reaction-diffusion system is presented. The movement of a molecule A from a region i to a region j of the space is represented as a first order reaction Ai k- ! Aj , where the rate constant k depends on the diffusion coefficient. The diffusion coefficients are modeled as function of the local concentration of the solutes, their intrinsic viscosities, their frictional coefficients and the temperature of the system. 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 intrinsic reaction kinetics and diffusion dynamics. To demonstrate the method the simulation results of the reaction-diffusion system of chaperoneassisted protein folding in cytoplasm are shown.

Keywords: diffusion coefficient, reaction-diffusion systems, stochastic simulation algorithm

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2 Stochastic Simulation of Reaction-Diffusion Systems

Authors: Paola Lecca, Lorenzo Dematte

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.

Keywords: reaction-diffusion systems, stochastic simulation algorithm, Fick's law

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1 Feature Preserving Image Interpolation and Enhancement Using Adaptive Bidirectional Flow

Authors: Shujun Fu, Qiuqi Ruan, Wenqia Wang

Abstract:

Image interpolation is a common problem in imaging applications. However, most interpolation algorithms in existence suffer visually to some extent the effects of blurred edges and jagged artifacts in the image. This paper presents an adaptive feature preserving bidirectional flow process, where an inverse diffusion is performed to enhance edges along the normal directions to the isophote lines (edges), while a normal diffusion is done to remove artifacts (''jaggies'') along the tangent directions. In order to preserve image features such as edges, angles and textures, the nonlinear diffusion coefficients are locally adjusted according to the first and second order directional derivatives of the image. Experimental results on synthetic images and nature images demonstrate that our interpolation algorithm substantially improves the subjective quality of the interpolated images over conventional interpolations.

Keywords: anisotropic diffusion, Image interpolation, Edge enhancement, bidirectional flow, inverse flow, shock filter, directionalderivatives

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