Shear-enhanced diffusion in charge-stabilised colloids

The generalised Langevin equation method for the dynamics of interacting colloids presented in my previous lecture is extended here to the case of a sheared suspension. A calculation of shear-dependent diffusivities using these methods is found to account for puzzling observations in experiments and simulations. The limitations of the method are discussed, and important unresolved questions presented. This lecture summarises work done in collaboration with A.V. Indrani [1].

Robust solver based on modified particle swarm optimization for improved solution of diffusion transport through containment facilities

Accurate estimation of mass transport parameters is necessary for overall design and evaluation processes of the waste disposal facilities. The mass transport parameters, such as effective diffusion coefficient, retardation factor and diffusion accessible porosity, are estimated from observed diffusion data by inverse analysis. Recently, particle swarm optimization (PSO) algorithm has been used to develop inverse model for estimating these parameters that alleviated existing limitations in the inverse analysis. However, PSO solver yields different solutions in successive runs because of the stochastic nature of the algorithm and also because of the presence of multiple optimum solutions. Thus the estimated mean solution from independent runs is significantly different from the best solution. In this paper, two variants of the PSO algorithms are proposed to improve the performance of the inverse analysis. The proposed algorithms use perturbation equation for the gbest particle to gain information around gbest region on the search space and catfish particles in alternative iterations to improve exploration capabilities. Performance comparison of developed solvers on synthetic test data for two different diffusion problems reveals that one of the proposed solvers, CPPSO, significantly improves overall performance with improved best, worst and mean fitness values. The developed solver is further used to estimate transport parameters from 12 sets of experimentally observed diffusion data obtained from three diffusion problems and compared with published values from the literature. The proposed solver is quick, simple and robust on different diffusion problems. (C) 2012 Elsevier Ltd. All rights reserved.

Efficiency limitations in a low band-gap diketopyrrolopyrrole-based polymer solar cell

We report the performance and photophysics of a low band-gap diketopyrrolopyrrole-based copolymer used in bulk heterojunction devices in combination with PC71BM. We show that the short lifetime of photogenerated excitons in the polymer constitutes an obstacle towards device efficiency by limiting the diffusion range of the exciton to the donor-acceptor heterojunction. We employ ultrafast transient-probe and fluorescence spectroscopy techniques to examine the excited state loss channels inside the devices. We use the high boiling point solvent additive 1,8-diiodooctane (DIO) to study the photoexcited state losses in different blend morphologies. The solvent additive acts as a compatibiliser between the donor and the acceptor material and leads to smaller domain sizes, higher charge formation yields and increased device efficiency.

Determination of diffusion parameters and activation energy of diffusion in V3Si phase with A15 crystal structure

Diffusion such is the integrated diffusion coefficient of the phase, the tracer diffusion coefficient of species at different temperatures and the activation energy for diffusion, are determined in V3Si phase with A15 crystal structure. The tracer diffusion coefficient of Si Was found to be negligible compared to the tracer diffusion coefficient of V. The calculated diffusion parameters will help to validate the theoretical analysis of defect structure of the phase, which plays an important role in the superconductivity.

Molecular theory for the effects of specific solute-solvent interaction on the diffusion of a solute particle in a molecular liquid

An understanding of the effect of specific solute-solvent interactions on the diffusion of a solute probe is a long standing problem of physical chemistry. In this paper a microscopic treatment of this effect is presented. The theory takes into account the modification of the solvent structure around the solute due to this specific interaction between them. It is found that for strong, attractive interaction, there is an enhanced coupling between the solute and the solvent dynamic modes (in particular, the density mode), which leads to a significant increase in the friction on the solute. The diffusion coefficient of the solute is found to depend strongly and nonlinearly on the magnitude of the attractive interaction. An interesting observation is that specific solute-solvent interaction can induce a crossover from a sliplike to a sticklike diffusion. In the limit of strong attractive interaction, we recover a dynamic version of the solvent-berg picture. On the other hand, for repulsive interaction, the diffusion coefficient of the solute increases. These results are in qualitative agreement with recent experimental observations.

Stability of a Random Diffusion with Linear Drift

We consider a Linear system with Markovian switching which is perturbed by Gaussian type noise, If the linear system is mean square stable then we show that under certain conditions the perturbed system is also stable, We also shaw that under certain conditions the linear system with Markovian switching can be stabilized by such noisy perturbation.

Interdiffusion and Growth of the Superconductor Nb3Sn in Nb/Cu(Sn) Diffusion Couples

The confusion over the growth rate of the Nb3Sn superconductor compound following the bronze technique is addressed. Furthermore, a possible explanation for the corrugated structure of the product phase in the multifilamentary structure is discussed. Kirkendall marker experiments are conducted to study the relative mobilities of the species, which also explains the reason for finding pores in the product phase layer. The movement of the markers after interdiffusion reflects that Sn is the faster diffusing species. Furthermore, different concentrations of Sn in the bronze alloy are considered to study the effect of Sn content on the growth rate. Based on the parabolic growth constant at different temperatures, the activation energy for the growth is determined.

Natural convection from a vertical cone in a porous medium due to the combined effects of heat and mass diffusion with non-uniform wall temperature/concentration or heat/mass flux and suction/injection

An analysis has been carried out to study the non-Darcy natural convention flow of Newtonian fluids on a vertical cone embedded in a saturated porous medium with power-law variation of the wall temperature/concentration or heat/mass flux and suction/injection with the streamwise distance x. Both non-similar and self-similar solutions have been obtained. The effects of non-Darcy parameter, ratio of the buoyancy forces due to mass and heat diffusion, variation of wall temperature/concentration or heat/mass flux and suction/injection on the Nusselt and Sherwood numbers have been studied.

Evaluation Of Diffusion-Coefficient And Ionic Mobility In (Nh4)4fe(Cn)6.1.5 H2o

The diffusion coefficient, D, and the ionic mobility, μ, in the protonic conductor ammonium ferrocyanide hydrate have been determined by the isothermal transient ionic current method. D is also determined from the time dependence of the build up of potential across the samples and theretical expressions describing this build up in terms of double exponential dependence on time are obtained. The values obtained are D=3.875×10−11m2s−1 and μ=1.65×10−9 m2V−1s−1.

Diffusion Parameters in the Nb-Mo System: Revisited

The variation of the interdiffusion coefficient with the change in composition in the Nb-Mo system is determined in the temperature range of 1800 °C to 1900 °C. It was found that the activation energy has a minimum at around 45 at. pct Nb. The values of the pre-exponential factor and the activation energy for diffusion are compared with the data available in the literature. Further, the impurity diffusion coefficients of Nb in Mo and Mo in Nb are calculated.

An Exact Analysis of Unsteady Convective Diffusion in an Annular Pipe

An exact solution to the unsteady convective diffusion equation for the dispersion of a solute in a fully developed laminar flow in an annular pipe is obtained. Generalized dispersion model which is valid for all time after the injection of solute in the flow is used to evaluate the dispersion coefficients as functions of time. It is observed that the axial dispersion decreases with an increase in the radius of the inner cylinder.

Swarm intelligence-based solver for parameter estimation of laboratory through-diffusion transport of contaminants

Theoretical approaches are of fundamental importance to predict the potential impact of waste disposal facilities on ground water contamination. Appropriate design parameters are generally estimated be fitting theoretical models to data gathered from field monitoring or laboratory experiments. Transient through-diffusion tests are generally conducted in the laboratory to estimate the mass transport parameters of the proposed barrier material. Thes parameters are usually estimated either by approximate eye-fitting calibration or by combining the solution of the direct problem with any available gradient-based techniques. In this work, an automated, gradient-free solver is developed to estimate the mass transport parameters of a transient through-diffusion model. The proposed inverse model uses a particle swarm optimization (PSO) algorithm that is based on the social behavior of animals searching for food sources. The finite difference numerical solution of the forward model is integrated with the PSO algorithm to solve the inverse problem of parameter estimation. The working principle of the new solver is demonstrated and mass transport parameters are estimated from laboratory through-diffusion experimental data. An inverse model based on the standard gradient-based technique is formulated to compare with the proposed solver. A detailed comparative study is carried out between conventional methods and the proposed solver. The present automated technique is found to be very efficient and robust. The mass transport parameters are obtained with great precision.

An Analysis of a Boundary Layer Diffusion Flame Over a Porous Flat Plate in a Confined Flow

A numerical analysis of the gas dynamic structure of a two-dimensional laminar boundary layer diffusion flame over a porous flat plate in a confined flow is made on the basis of the familiar boundary layer and flame sheet approximations neglecting buoyancy effects. The governing equations of aerothermochemistry with the appropriate boundary conditions are solved using the Patankar-Spalding method. The analysis predicts the flame shape, profiles of temperature, concentrations of variousspecies, and the density of the mixture across the boundary layer. In addition, it also predicts the pressure gradient in the flow direction arising from the confinement ofthe flow and the consequent velocity overshoot near the flame surface. The results of thecomputation performed for an n-pentane-air system are compared with experimental data andthe agreement is found to be satisfactory.

nvestigations on the Stability and Extinction of a Laminar Diffusion Flame Over a Porous Flat Plate

The limits of stability and extinction of a laminar diffusion flame have been experimentally studied in a two-dimensional laminar boundary layer over a porous flat plate through which n-pentane vapour was uniformly injected. The stability and extinction boundaries are mapped on a plot of free stream oxidant velocity versus fuel injection velocity. Effects of free stream temperature and of dilution of fuel and oxidant on these boundaries have been examined. The results show that there exists a limiting oxidant flux beyond which the diffusion flame cannot be sustained. This limiting oxidant flux has been found to depend_on the free stream oxygen concentration, fuel concentration and injection'velocity of the fuel.