Predictions of segregation of granular material with the aid of PHYSICA, a 3-D unstructured finite-volume modelling framework

In this paper a continuum model for the prediction of segregation in granular material is presented. The numerical framework, a 3-D, unstructured grid, finite-volume code is described, and the micro-physical parametrizations, which are used to describe the processes and interactions at the microscopic level that lead to segregation, are analysed. Numerical simulations and comparisons with experimental data are then presented and conclusions are drawn on the capability of the model to accurately simulate the behaviour of granular matter during flow.

Macro-segregation of multi-component alloys in shape casting simulation

The objective of this work is to present a new scheme for temperature-solute coupling in a solidification model, where the temperature and concentration fields simultaneously satisfy the macro-scale transport equations and, in the mushy region, meet the constraints imposed by the thermodynamics and the local scale processes. A step-by-step explanation of the macrosegregation algorithm, implemented in the finite volume unstructured mesh multi-physics modelling code PHYSICA, is initially presented and then the proposed scheme is validated against experimental results obtained by Krane for binary and a ternary alloys.

On the continuum modelling of segregation of granular mixtures during hopper emptying in core flow mode

In this paper, the application of a continuum model is presented, which deals with the discharge of multi-component granular mixtures in core flow mode. The full model description is given (including the constitutive models for the segregation mechanism) and the interactions between particles at the microscopic level are parametrised in order to predict the development of stagnant zone boundaries during core flow discharges. Finally, the model is applied to a real industrial problem and predictions are made for the segregation patterns developed during mixture discharge in core flow mode.

Segregation of bulk particulates through multiple process handling steps

Segregation or de-blending of bulk particulates is a problem that is encountered in many industrial sectors. The magnitude of segregation can often determine whether a complete production batch can be transferred for onward processing within the plant or released to market. It is a phenomenon that impacts directly upon the profitability of a process. Segregation can occur through a coincidence of a range of variables that relate to the process and bulk particulate properties, common mechanisms for this include; percolation, surface effect (rolling) and elutriation. The importance to industry of predicting the sensitivity of bulk particulates to segregation cannot be under-estimated, and to this end various test procedures have been developed. Within many industries striving to improve product quality and reduce wastage, the determination of variability in blend consistency caused by segregation is an increasing priority. This paper considers recent work undertaken to evaluate the effects of multiple handling operations on the degree of segregation that results. The bulk properties of segregability (and resulting flowability) can not only influence the product consistency, but can have great influence over the process (production) control and performance.

Novel inclusion complex of ibuprofen tromethamine with cyclodextrins: Physico-chemical characterization

Guest-host interactions of ibuprofen tromethamine salt (Ibu.T) with native and modified cyclodextrins (CyDs) have been investigated using several techniques, namely phase solubility diagrams (PSDs), proton nuclear magnetic resonance (H-1 NMR), differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FT-IR), X-ray powder diffractometry (XRPD). scanning-electron microscopy (SEM) and molecular mechanics (MM). From the analysis of PSD data (A(L)-type) it is concluded that the anionic tromethamine salt of ibuprofen (pK(a) = 4.55) forms 1: 1 soluble complexes with all CyDs investigated in buffered water at pH 7.0, while the neutral form of Ibu forms an insoluble complex with beta-CyD (B-S-type) in buffered water at pH 2.0. Ibu.T has a lower tendency to complex with beta-CyD (K-11 = 58 M-1 at pH 7.0) compared with the neutral Ibu (K-11 = 4200 M (1)) in water. Complex formation of Ibu.T with beta-CyD (Delta G degrees = -20.4 kJ/mol) is enthalpy driven (Delta H degrees = -22.9 kJ/mol) and is accompanied by a small unfavorable entropy (Delta S degrees = -8.4 J/mol K) change. H-1 NMR studies and MM computations revealed that, on complexation, the hydrophobic central benzene ring of lbu.T and part of the isobutyl group reside within the beta-CyD cavity leaving the peripheral groups (carboxylate, tromethamine and methyl groups) located near the hydroxyl group networks at either rim of beta-CyD. PSD, H-1 NMR, DSC, FT-IR, XRPD, SEM and MM studies confirmed the formation of Ibu.T/beta-CyD inclusion complex in solution and the solid state. (C) 2009 Elsevier B.V. All rights reserved.

Tailoring the morphology of WO₃films with substitutional cation doping: Effect on the photoelectrochemical properties

With the aim of improving the performance and extending the range of applications of mesoporous WO₃films, which were initially developed for the photoelectrochemical oxidation of water, we investigated the effect of a number of dopants (lithium, silicon, ruthenium, molybdenum and tin) upon the transparency, crystallinity, porosity and conductivity of the modified films. Tin, molybdenum and silicon were shown to improve the electrochromic behaviour of the layers whereas ruthenium enhanced considerably the electronic conductivity of the WO₃films. Interestingly, most of the dopants also affected the film morphology and the size of WO₃nanocrystals. X-ray photoelectron spectra revealed absence of significant segregation of doping elements within the film. Raman analyses confirmed that the monoclinic structure of WO₃films does not change upon substitutional cation doping; thus, the crystallinity of WO₃films is maintained.

A computational study of segregation in granular material during heaping

A continuum model of the flow of granular material during silo filling using a viscoplastic constitutive relation is presented in this paper. The constitutive model is based on the Drucker-Prager plasticity yield function. The simulation results give a realistic representation of complex features of granular flows during filling processes, such as heap formation and non-zero inclination angle of the material-air interface. The model is also coupled within the same framework with novel micro-mechanical parametrisations and the process of segregation during filling of granular mixtures can also be modelled.