Search results for: porous diffusion

Authors: M. T. Ahn, J. H. Park, S. H. Park, S. H. Ha

Abstract:

Diffusion bonding has been continuously studied. Temperature and pressure are the most important factors to increase the strength between diffusion bonded interfaces. Diffusion bonding is an important factor affecting the bonding strength of the lined pipe. The increase of the diffusion bonding force results in a high formability clad pipe. However, in the case of drawing, it is difficult to obtain a high pressure between materials due to a relatively small reduction in cross-section, and it is difficult to prevent elongation or to tear of material in hot drawing even if the reduction in the section is increased. In this paper, to increase the diffusion bonding force, we derive optimal temperature and pressure to suppress material stretching and realize precise thickness precision.

Keywords: diffusion bonding, temperature, pressure, drawing speed

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Authors: Yasser Mahmoudi, Nader Karimi

Abstract:

The present work examines analytically the effect internal heat generation on temperature fields in a channel partially-filled with a porous under local thermal non-equilibrium condition. The Darcy-Brinkman model is used to represent the fluid transport through the porous material. Two fundamental models (models A and B) represent the thermal boundary conditions at the interface between the porous medium and the clear region. The governing equations of the problem are manipulated, and for each interface model, exact solutions for the solid and fluid temperature fields are developed. These solutions incorporate the porous material thickness, Biot number, fluid to solid thermal conductivity ratio Darcy number, as the non-dimensional energy terms in fluid and solid as parameters. Results show that considering any of the two models and under zero or negative heat generation (heat sink) and for any Darcy number, an increase in the porous thickness increases the amount of heat flux transferred to the porous region. The obtained results are applicable to the analysis of complex porous media incorporating internal heat generation, such as heat transfer enhancement (THE), tumor ablation in biological tissues and porous radiant burners (PRBs).

Keywords: porous media, local thermal non-equilibrium, forced convection, heat transfer, exact solution, internal heat generation

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Authors: Najwa Mimouni, Omar Rahli, Rachid Bennacer, Salah Chikh

Abstract:

In the present work 2D and 3D numerical simulations of double diffusion natural convection in an elongated enclosure filled with a binary fluid saturating a porous medium are carried out. In the formulation of the problem, the Boussinesq approximation is considered and cross Neumann boundary conditions are specified for heat and mass walls conditions. The numerical method is based on the control volume approach with the third order QUICK scheme. Full approximation storage (FAS) with full multigrid (FMG) method is used to solve the problem. For the explored large range of the controlling parameters, we clearly evidenced that the increase in the depth of the cavity i.e. the lateral aspect ratio has an important effect on the flow patterns. The 2D perfect parallel flows obtained for a small lateral aspect ratio are drastically destabilized by increasing the cavity lateral dimension. This yields a 3D fluid motion with a much more complicated flow pattern and the classically studied 2D parallel flows are impossible.

Keywords: bifurcation, natural convection, heat and mass transfer, parallel flow, porous media

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Authors: H. Niranjan, S. Sivasankaran

Abstract:

Heat and mass transfer near a steady stagnation point boundary layer flow of viscous incompressible fluid through porous media investigates along a vertical plate is thoroughly studied under the presence of magneto hydrodynamic (MHD) effects. The fluid flow is steady, laminar, incompressible and in two-dimensional. The nonlinear differential coupled parabolic partial differential equations of continuity, momentum, energy and specie diffusion are converted into the non-similar boundary layer equations using similarity transformation, which are then solved numerically using the Runge-Kutta method along with shooting method. The effects of the conjugate heat transfer parameter, the porous medium parameter, the permeability parameter, the mixed convection parameter, the magnetic parameter, and the thermal radiation on the velocity and temperature profiles as well as on the local skin friction and local heat transfer are presented and analyzed. The validity of the methodology and analysis is checked by comparing the results obtained for some specific cases with those available in the literature. The various parameters on local skin friction, heat and mass transfer rates are presented in tabular form.

Keywords: MHD, porous medium, slip, convective boundary condition, stagnation point

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Authors: Nicoleta O. Tanase, Ciprian S. Mateescu

Abstract:

This paper is concerned with the numerical study of the flow through porous media. The purpose of this project is to determine the permeability of a medium and its connection to porosity to be able to identify how the permeability of said medium can be altered without changing the porosity. The numerical simulations are performed in 2D flow configurations with the laminar solvers implemented in Workbench - ANSYS Fluent. The direction of flow of the working fluid (water) is axial, from left to right, and in steady-state conditions. The working fluid is water. The 2D geometry is a channel with 300 mm length and 30 mm width, with a different number of circles that are positioned differently, modelling a porous medium. The permeability of a porous medium can be altered without changing the porosity by positioning the circles differently (by missing the same number of circles) in the flow domain, which induces a change in the flow spectrum. The main goal of the paper is to investigate the flow pattern and permeability under controlled perturbations induced by the variation of velocity and porous medium. Numerical solutions provide insight into all flow magnitudes, one of the most important being the WSS distribution on the circles.

Keywords: CFD, porous media, permeability, flow spectrum

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Authors: Jose Gois

Abstract:

The paper presents the development of a porous porcelain frappe with thermochromic visualization for port wines, having as a partner the Institute of Vinhos do Douro and Porto. This ceramic frappe is intended to promote the cooling and maintenance of the temperature of port wines through porous ceramic materials, consisting of a porcelain composite with sawdust addition, so as to contain, on the one hand, the similar cooling properties of the terracotta and, on the other, the resistance of materials such as porcelain. The application of the thermochromic element makes it possible to see if the wine is at optimal service temperatures, allowing users to drink the wine in the ideal conditions and contributing to more efficient maintenance of the service.

Keywords: design, frappe, porcelain, porous, thermochromic

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Authors: D Bhargavi, J. Sharath Kumar Reddy

Abstract:

The present investigation has been undertaken to assess the effect of viscous dissipation and axial conduction on forced convection heat transfer in the entrance region of a parallel plate channel with the porous insert attached to both walls of the channel. The flow field is unidirectional. Flow in the porous region corresponds to Darcy-Brinkman model and the clear fluid region to that of plane Poiseuille flow. The effects of the parameters Darcy number, Da, Peclet number, Pe, Brinkman number, Br and a porous fraction γ_p on the local heat transfer coefficient are analyzed graphically. Effects of viscous dissipation employing the Darcy model and the clear fluid compatible model have been studied.

Keywords: porous material, channel partially filled with a porous material, axial conduction, viscous dissipation

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Authors: Han Yan, Jieren Luo, Qiuhui Yan, Xiaoqing Li

Abstract:

The thermal conductivity of porous materials is closely related to the thermal and moisture environment and the overall energy consumption of the building. The study of thermal conductivity of porous materials has great significance for the realization of low energy consumption building and economic construction building. Based on the study of effective thermal conductivity of porous materials at home and abroad, the thermal conductivity under a variety of different density of polystyrene board (EPS), plastic extruded board (XPS) and polyurethane (PU) and phenolic resin (PF) in wet state through theoretical analysis and experimental research has been studied. Initially, the moisture absorption and desorption properties of specimens had been discussed under different density, which led a result indicates the moisture absorption of four porous materials all have three stages, fast, stable and gentle. For the moisture desorption, there are two types. One is the existence of the rapid phase of the stage, such as XPS board, PU board. The other one does not have the fast desorption, instead, it is more stabilized, such as XPS board, PF board. Furthermore, the relationship between water content and thermal conductivity of porous materials had been studied and fitted, which figured out that in the wake of the increasing water content, the thermal conductivity of porous material is continually improving. At the same time, this result also shows, in different density, when the same kind of materials decreases, the saturated moisture content increases. Finally, the moisture absorption and desorption properties of the four kinds of materials are compared comprehensively, and it turned out that the heat preservation performance of PU board is the best, followed by EPS board, XPS board, PF board.

Keywords: porous materials, thermal conductivity, moisture content, transient hot-wire method

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Authors: Shangerganesh Lingeshwaran

Abstract:

In this presentation, we have performed numerical simulations for a reaction-diffusion equation with various nonlinear density-dependent diffusion operators and proliferation functions. The mathematical model represented by parabolic partial differential equation is considered to study the invasion of gliomas (the most common type of brain tumors) and to describe the growth of cancer cells and response to their treatment. The unknown quantity of the given reaction-diffusion equation is the density of cancer cells and the mathematical model based on the proliferation and migration of glioma cells. A standard Galerkin finite element method is used to perform the numerical simulations of the given model. Finally, important observations on the each of nonlinear diffusion functions and proliferation functions are presented with the help of computational results.

Keywords: glioma invasion, nonlinear diffusion, reaction-diffusion, finite eleament method

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Authors: Pooja Sharma

Abstract:

In the present paper the effects of radiation is studied on unsteady flow of viscous incompressible electrically conducting fluid past a vertical porous plate embedded in the porous medium in the presence of constant heat flux. A uniform Transverse Magnetic field is considered and induced magnetic field is supposed as negligible. The non-linear governing equations are solved numerically. Numerical results of the velocity and temperature fields are shown through graphs. The results illustrates that the appropriator combination of regulated values of thermo-physical parameters is expedient for controlling the flow system.

Keywords: heat transfer, radiation, MHD flow, porous medium

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Authors: Makhlouf Mourad, Medkour Mihoub, Bouchher Omar, Messabih Sidi Mohamed, Benrachedi Khaled

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This work is the modeling and simulation of fluid flow (liquid) through porous media. This type of flow occurs in many situations of interest in applied sciences and engineering, fluid (oil) consists of several individual substances in pure, single-phase flow is incompressible and isothermal. The porous medium is isotropic, homogeneous optionally, with the rectangular format and the flow is two-dimensional. Modeling of hydrodynamic phenomena incorporates Darcy's law and the equation of mass conservation. Correlations are used to model the density and viscosity of the fluid. A finite volume code is used in the discretization of differential equations. The nonlinearity is treated by Newton's method with relaxation coefficient. The results of the simulation of the pressure and the mobility of liquid flowing through porous media are presented, analyzed, and illustrated.

Keywords: Darcy equation, middle porous, continuity equation, Peng Robinson equation, mobility

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Authors: V. D. Thi, M. Li, M. Khelifa, M. El Ganaoui, Y. Rogaume

Abstract:

This paper presents a two-dimensional model to study the heat and moisture transfer through porous building materials. Dynamic and static coupled models of heat and moisture transfer in porous material under low temperature are presented and the coupled models together with variable initial and boundary conditions have been considered in an analytical way and using the finite element method. The resulting coupled model is converted to two nonlinear partial differential equations, which is then numerically solved by an implicit iterative scheme. The numerical results of temperature and moisture potential changes are compared with the experimental measurements available in the literature. Predicted results demonstrate validation of the theoretical model and effectiveness of the developed numerical algorithms. It is expected to provide useful information for the porous building material design based on heat and moisture transfer model.

Keywords: finite element method, heat transfer, moisture transfer, porous materials, wood

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Authors: Nassima Sotehi

Abstract:

This article presents experimental and numerical results concerning the thermal properties of the porous materials used as heat insulator in the buildings sector. Initially, the thermal conductivity of three types of studied walls (classic concrete, concrete with cork aggregate and polystyrene concrete) was measured in experiments by the method of the boxes. Then a numerical modeling of the heat and mass transfers which occur within porous materials was applied to these walls. This work shows the influence of the presence of water in building materials on their thermophysical properties, as well as influence of the nature of materials and dosage of fibers introduced within these materials on the thermal and mass transfers.

Keywords: modeling, porous media, thermal materials, thermal properties

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Authors: N. Targui, H. Kahalerras

Abstract:

The present work is a numerical simulation of nanofluids flow in a double pipe heat exchanger provided with porous baffles. The hot nanofluid flows in the inner cylinder, whereas the cold nanofluid circulates in the annular gap. The Darcy-Brinkman-Forchheimer model is adopted to describe the flow in the porous regions, and the governing equations with the appropriate boundary conditions are solved by the finite volume method. The results reveal that the addition of metallic nanoparticles enhances the rate of heat transfer in comparison to conventional fluids but this augmentation is accompanied by an increase in pressure drop. The highest heat exchanger performances are obtained when nanoparticles are added only to the cold fluid.

Keywords: double pipe heat exchanger, nanofluids, nanoparticles, porous baffles

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Authors: Wajahat Hussain Khan, M. Zubair Akbar Qureshi

Abstract:

The viscous, two-dimensional, incompressible, and laminar time-dependent heat transfer flow through a ferromagnetic fluid is considered in this paper. Flow takes place in a channel between two porous walls under the influence of the magnetic field located beyond the channel. It is assumed that there are no electric field effects and the variation in the magnetic field vector that could occur within the F

Keywords: hybrid ferrofluid, heat transfer, magnetic field, porous channel

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Authors: Satya Deo, Deepak Kumar Maurya

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The present study investigates the ow of a Newtonian fluid sandwiched between two rectangular porous channels filled with micropolar fluid in the presence of a uniform magnetic field applied in a direction perpendicular to that of the fluid motion. The governing equations of micropolar fluid are modified by Nowacki's approach. For respective porous channels, expressions for velocity vectors, microrotations, stresses (shear and couple) are obtained analytically. Continuity of velocities, continuities of micro rotations and continuity of stresses are used at the porous interfaces; conditions of no-slip and no spin are applied at the impervious boundaries of the composite channel. Numerical values of flow rate, wall shear stresses and couple stresses at the porous interfaces are calculated for different values of various parameters. Graphs of the ow rate and fluid velocity are plotted and their behaviors are discussed.

Keywords: couple stress, flow rate, Hartmann number, micropolar fluids

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Authors: Mei-Hsiu Chi, Jyh-Yang Wu, Sheng-Gwo Chen

Abstract:

The diffusion-reaction equations are important Partial Differential Equations in mathematical biology, material science, physics, and so on. However, finding efficient numerical methods for diffusion-reaction systems on curved surfaces is still an important and difficult problem. The purpose of this paper is to present a convergent geometric method for solving the reaction-diffusion equations on closed surfaces by an O(r)-LTL configuration method. The O(r)-LTL configuration method combining the local tangential lifting technique and configuration equations is an effective method to estimate differential quantities on curved surfaces. Since estimating the Laplace-Beltrami operator is an important task for solving the reaction-diffusion equations on surfaces, we use the local tangential lifting method and a generalized finite difference method to approximate the Laplace-Beltrami operators and we solve this reaction-diffusion system on closed surfaces. Our method is not only conceptually simple, but also easy to implement.

Keywords: closed surfaces, high-order approachs, numerical solutions, reaction-diffusion systems

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Authors: Huiwu Yu, Xiangyou Li, Xiaoyan Zeng

Abstract:

Porous spheres have been widely used in many fields due to their attractive features. In this work, an approach for fabricating porous spheres of nanoparticles was presented, in which the nanoparticles were welded together to form micro spheres by simply irradiating the nanoparticles in liquid medium by a picosecond laser. As an example, anatase titanium dioxide was chosen as a typical material on account of its metastability. The structure and morphologies of the products were characterised by X-ray diffraction (XRD), scanning electron microscope (SEM), Raman, and high-resolution transmission electron microscopy (HRTEM), respectively. The results showed that, anatase titanium dioxide micro spheres (2-10 μm) with macroporous (10-100 nm) were prepared from nano-anatase titanium dioxide nanoparticles (10-100 nm). The formation process of polycrystalline anatase titanium dioxide microspheres was investigated with different liquid mediums and the input laser fluences. Thus, this facile laser irradiation approach might provide a way for the fabrication of porous microspheres without phase-transition.

Keywords: titanium dioxide, porous microspheres, picosecond laser, nano-welding

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Authors: Mohamed Ben Rabha

Abstract:

In this paper, we report on the effect of porous silicon (PS) treatment on the surface passivation of monocrystalline silicon (c-Si). PS film with a thickness of 80 nm was deposited by stain etching. It was demonstrated that PS coating is a very interesting solution for surface passivation. The level of surface passivation is determined by techniques based on photoconductance and FTIR. As a results, the effective minority carrier lifetime increase from 2 µs to 7 µs at ∆n=1015 cm-3 and the reflectivity reduce from 28 % to about 7 % after PS coating.

Keywords: porous silicon, effective minority carrier lifetime, reflectivity

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Authors: M. J. Shivaram, Shashi Bhushan Arya, Jagannath Nayak, Bharat Bhooshan Panigrahi

Abstract:

Titanium and its alloys have become more significant implant materials due to their mechanical properties, excellent biocompatibility and high corrosion resistance. Biomaterials can be produce by using the powder metallurgy (PM) methods and required properties can tailored by varying the processing parameters, such as ball milling time, space holder particles, and sintering temperature. The desired properties such as, structural and mechanical properties can be obtained by powder metallurgy method.  In the present study, deals with fabrication of solid and porous Ti-20Nb-5Ag alloy using high energy ball milling for different times (5 and 20 h). The resultant powder particles were used to fabricate solid and porous Ti-20Nb-5Ag alloy by adding space holder particles (NH₄HCO₃). The resultant powder particles, fabricated solid and porous samples were characterized by scanning electron microscopy (SEM). The compressive strength, elastic modulus and microhardness properties were investigated. Solid and porous Ti-20Nb-5Ag alloy samples showed good mechanical properties for 20 h ball milling time as compare to 5 h ball milling.

Keywords: ball milling, compressive strengths, microstructure, porous titanium alloy

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Authors: Mok-Tan Ahn, Joon-Hong Park, Yeon-Jong Jeong

Abstract:

Diffusion bonding has been continuously studied. Temperature and pressure are the most important factors to increase the strength between diffusion bonded interfaces. Diffusion bonding is an important factor affecting the bonding strength of the lined pipe. The increase of the diffusion bonding force results in a high formability clad pipe. However, in the case of drawing, it is difficult to obtain a high pressure between materials due to a relatively small reduction in cross-section, and it is difficult to prevent elongation or to tear of material in heat drawing even if the reduction in section is increased. In this paper, to increase the diffusion bonding force, we derive optimal temperature and pressure to suppress material stretching and realize precise thickness precision.

Keywords: drawing speed, FEM (Finite Element Method), diffusion bonding, temperature, heat drawing, lined pipe

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Authors: R. Whalley

Abstract:

The heat transfer modelling for a diffusion process will be considered. Difficulties in computing the time-distance dynamics of the representation will be addressed. Incomplete and irrational Laplace function will be identified as the computational issue. Alternative approaches to the response evaluation process will be provided. An illustration application problem will be presented. Graphical results confirming the theoretical procedures employed will be provided.

Keywords: heat, transfer, diffusion, modelling, computation

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Authors: Gkolfo I. Smani, Vasileios Megalooikonomou

Abstract:

Social influence and influence diffusion have been studied in social networks. However, most existing tasks on this subject focus on static networks. In this paper, the problem of maximizing influence diffusion in dynamic social networks, i.e., the case of networks that change over time, is studied. The DM algorithm is an extension of the MATI algorithm and solves the influence maximization (IM) problem in dynamic networks and is proposed under the linear threshold (LT) and independent cascade (IC) models. Experimental results show that our proposed algorithm achieves a diffusion performance better by 1.5 times than several state-of-the-art algorithms and comparable results in diffusion scale with the Greedy algorithm. Also, the proposed algorithm is 2.4 times faster than previous methods.

Keywords: influence maximization, dynamic social networks, diffusion, social influence, graphs

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Authors: Sheldon Liu, Gordon Wang, Lei Liu, Xuefeng Liu

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Anomaly detection, also referred to as one-class classification, plays a crucial role in identifying product images that deviate from the expected distribution. This study introduces Data-centric Anomaly Detection with Diffusion Models (DCADDM), presenting a systematic strategy for data collection and further diversifying the data with image generation via diffusion models. The algorithm addresses data collection challenges in real-world scenarios and points toward data augmentation with the integration of generative AI capabilities. The paper explores the generation of normal images using diffusion models. The experiments demonstrate that with 30% of the original normal image size, modeling in an unsupervised setting with state-of-the-art approaches can achieve equivalent performances. With the addition of generated images via diffusion models (10% equivalence of the original dataset size), the proposed algorithm achieves better or equivalent anomaly localization performance.

Keywords: diffusion models, anomaly detection, data-centric, generative AI

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Authors: F. Asadi, M. M. Zerafat, S. Sabbaghi

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Among water pollutants, volatile organic compounds can cause severe long lasting effects not only on biotic organism but also on human health. As a result, this material group has attracted more attention in recent years. Adsorption is one of the common processes for remediation of aromatic compounds. In this study, porous clay hetrostructers (PCHs) are synthesized through gallery template approach and cetyltrimethylammonium bromide and dodecylamine used as template and co-template, respectively. Porous clay is characterized by XRD and FTIR. Batch adsorption experiments were carried out to investigate the effect of various adsorption parameters like adsorbent dosage, pH, initial concentration and contact time. It was found that by increasing adsorbent dosage from 0.5gr/lit to 4gr/lit, toluene removal is increased from 34% to 88.1%. Increasing contact time and decreasing the pH of aqueous solution increases toluene removal efficiency.

Keywords: adsorption, clay, nano-porous, toluene

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Authors: Hamad Alhajeri, Abdulrahman Almutairi, A. H. Alenezi, M. H. Alhajeri, Ayedh Alajmi

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The flow around three porous cylinders in inline arrangement is investigated in this paper computationally using the commercial code FLUENT. The arrangement generally operates with the dirty gases passing through the porous cylinders, the particulate material being deposited on the outside of the cylinders. However, in a combined cycle power plant, filtration is required to allow the hot exhaust gases to be fed to a turbine without causing any physical damage to the turbine blades. Three cylinder elements are placed in a two-dimensional rectangle duct with fixed face velocity and varying the velocity ratio between the approach and face velocity. Particle trajectories are obtained for a number of particle diameters and different inlet (approach) velocity to face filtration velocity ratios to investigate the behavior of particles around the cylinder.

Keywords: porous cylinders, CFD, fluid flow, filtration

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Authors: Ying-Chang Yu, Yuan-Lung Lo

Abstract:

Building ventilation performance is an important indicator of indoor comfort. However, in addition to the geometry of the building or the proportion of the opening, the ventilation performance is also very much related to the actual wind pressure of the building. There are more and more contemporary building designs built with multi-layer exterior envelope. Due to ventilation and view observatory requirement, the porous outer layer of the building is commonly adopted and has a significant wind damping effect, causing the phenomenon of actual wind pressure loss. However, the relationship between the wind damping effect and the actual wind pressure is not linear. This effect can make the indoor ventilation of the building rationalized to reasonable range under the condition of high wind pressure, and also maintain a good amount of ventilation performance under the condition of low wind pressure. In this study, wind tunnel experiments were carried out to simulate the different wind pressures flow through the porous outer layer, and observe the actual wind pressure strength engage with the window layer to find the decreasing relationship between the damping effect of the porous shell and the wind pressure. Experiment specimen scale was designed to be 1:50 for testing real-world building conditions; the study found that the porous enclosure has protective shielding without affecting low-pressure ventilation. Current study observed the porous skin may damp more wind energy to ease the wind pressure under high-speed wind. Differential wind speed may drop the pressure into similar pressure level by using porous skin. The actual mechanism and value of this phenomenon will need further study in the future.

Keywords: multi-layer facade, porous media, wind damping, wind tunnel test, building ventilation

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Authors: Judith Stein, Elfriede Friedmann

Abstract:

The injection of a drug into the vitreous body for the treatment of retinal diseases like wet aged-related macular degeneration (AMD) is the most common medical intervention worldwide. We develop mathematical models for drug transport in the vitreous body of a human eye to analyse the impact of different rheological models of the vitreous on drug distribution. In addition to the convection diffusion equation characterizing the drug spreading, we use porous media modeling for the healthy vitreous with a dense collagen network and include the steady permeating flow of the aqueous humor described by Darcy's law driven by a pressure drop. Additionally, the vitreous body in a healthy human eye behaves like a viscoelastic gel through the collagen fibers suspended in the network of hyaluronic acid and acts as a drug depot for the treatment of retinal diseases. In a completely liquefied vitreous, we couple the drug diffusion with the classical Navier-Stokes flow equations. We prove the global existence and uniqueness of the weak solution of the developed initial-boundary value problem describing the drug distribution in the healthy vitreous considering the permeating aqueous humor flow in the realistic three-dimensional setting. In particular, for the drug diffusion equation, results from the literature are extended from homogeneous Dirichlet boundary conditions to our mixed boundary conditions that describe the eye with the Galerkin's method using Cauchy-Schwarz inequality and trace theorem. Because there is only a small effective drug concentration range and higher concentrations may be toxic, the ability to model the drug transport could improve the therapy by considering patient individual differences and give a better understanding of the physiological and pathological processes in the vitreous.

Keywords: coupled PDE systems, drug diffusion, mixed boundary conditions, vitreous body

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Authors: Douglas Yeboah, Jai Singh

Abstract:

It has been experimentally demonstrated that exciton diffusion length in organic solids can be improved by fine-tuning the material parameters that govern exciton transfer. Here, a theoretical study is carried out to support this finding. We have therefore derived expressions for the exciton diffusion length and diffusion coefficient of singlet and triplet excitons using Förster resonance energy transfer and Dexter carrier transfer mechanisms and are plotted as a function of photoluminescence (PL) quantum yield, spectral overlap integral, refractive index and dipole moment of the photoactive material. We found that singlet exciton diffusion length increases with PL quantum yield and spectral overlap integral, and decreases with increase in refractive index. Likewise, the triplet exciton diffusion length increases when PL quantum yield increases and dipole moment decreases. The calculated diffusion lengths in different organic materials are compared with existing experimental values and found to be in reasonable agreement. The results are expected to provide insight in developing new organic materials for fabricating bulk heterojunction (BHJ) organic solar cells (OSCs) with better photoconversion efficiency.

Keywords: Dexter carrier transfer, diffusion coefficient, exciton diffusion length, Föster resonance energy transfer, photoactive materials, photophysical parameters

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Authors: Pavlo Selyshchev, Samuel Akintunde

Abstract:

A theoretical approach to consider formation of chemical compound layer at the interface between initial substances A and B due to the interfacial interaction and diffusion is developed. It is considered situation when speed of interfacial interaction is large enough and diffusion of A-atoms through AB-layer is much more then diffusion of B-atoms. Atoms from A-layer diffuse toward B-atoms and form AB-atoms on the surface of B-layer. B-atoms are assumed to be immobile. The growth kinetics of the AB-layer is described by two differential equations with non-linear coupling, producing a good fit to the experimental data. It is shown that growth of the thickness of the AB-layer determines by dependence of chemical reaction rate on reactants concentration. In special case the thickness of the AB-layer can grow linearly or parabolically depending on that which of processes (interaction or the diffusion) controls the growth. The thickness of AB-layer as function of time is obtained. The moment of time (transition point) at which the linear growth are changed by parabolic is found.

Keywords: phase formation, binary systems, interfacial reaction, diffusion, compound layers, growth kinetics

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