Revisiting the carrier-phase source-term formulation in mixed Lagrangian-Eulerian particle models

The formulation of the carrier-phase momentum and enthalpy source terms in mixed Lagrangian-Eulerian models of particle-laden flows is frequently reported inaccurately. Under certain circumstances, this can lead to erroneous implementations, which violate physical laws. A particle- rather than carrier-based approach is suggested for a consistent treatment of these terms.

CFD approach for solid mechanics analysis

A cell-centred finite volume(CC-FV) solid mechanics formulation, based on a computational fluid dynamics(CFD) procedure, is presented. A CFD code is modified such that the velocity variable is used as to the displacement variable. Displacement and pressure fields are considered as unknown variables. The results are validated with finite element(FE) and cell-vertex finite volume(CV-FV) predictions based on discretisation of the equilibrium equations. The developed formulation is applicable for both compressible and incompressible solids behaviour. The method is general and can be extended for the simultaneous analysis of problems involving flow-thermal and stress effects.

A comprehensive copper stockpile leach model: background and model formulation

The first phase in the sign, development and implementation of a comprehensive computational model of a copper stockpile leach process is presented. The model accounts for transport phenomena through the stockpile, reaction kinetics for the important mineral species, oxgen and bacterial effects on the leach reactions, plus heat, energy and acid balances for the overall leach process. The paper describes the formulation of the leach process model and its implementation in PHYSICA+, a computational fluid dynamic (CFD) software environment. The model draws on a number of phenomena to represent the competing physical and chemical features active in the process model. The phenomena are essentially represented by a three-phased (solid liquid gas) multi-component transport system; novel algorithms and procedures are required to solve the model equations, including a methodology for dealing with multiple chemical species with different reaction rates in ore represented by multiple particle size fractions. Some initial validation results and application simulations are shown to illustrate the potential of the model.

Nonlinear MHD stability of aluminium reduction cells

An industrial electrolysis cell used to produce primary aluminium is sensitive to waves at the interface of liquid aluminium and electrolyte. The interface waves are similar to stratified sea layers [1], but the penetrating electric current and the associated magnetic field are intricately involved in the oscillation process, and the observed wave frequencies are shifted from the purely hydrodynamic ones [2]. The interface stability problem is of great practical importance because the electrolytic aluminium production is a major electrical energy consumer, and it is related to environmental pollution rate. The stability analysis was started in [3] and a short summary of the main developments is given in [2]. Important aspects of the multiple mode interaction have been introduced in [4], and a widely used linear friction law first applied in [5]. In [6] a systematic perturbation expansion is developed for the fluid dynamics and electric current problems permitting reduction of the three-dimensional problem to a two dimensional one. The procedure is more generally known as “shallow water approximation” which can be extended for the case of weakly non-linear and dispersive waves. The Boussinesq formulation permits to generalise the problem for non-unidirectionally propagating waves accounting for side walls and for a two fluid layer interface [1]. Attempts to extend the electrolytic cell wave modelling to the weakly nonlinear case have started in [7] where the basic equations are derived, including the nonlinearity and linear dispersion terms. An alternative approach for the nonlinear numerical simulation for an electrolysis cell wave evolution is attempted in [8 and references there], yet, omitting the dispersion terms and without a proper account for the dissipation, the model can predict unstable waves growth only. The present paper contains a generalisation of the previous non linear wave equations [7] by accounting for the turbulent horizontal circulation flows in the two fluid layers. The inclusion of the turbulence model is essential in order to explain the small amplitude self-sustained oscillations of the liquid metal surface observed in real cells, known as “MHD noise”. The fluid dynamic model is coupled to the extended electromagnetic simulation including not only the fluid layers, but the whole bus bar circuit and the ferromagnetic effects [9].

Extended model of pedestrian escalator behaviour based on data collected within a Chinese underground station

This paper presents data relating to pedestrian escalator behaviour collected in an underground station in Shanghai, China. While data was not collected under emergency or simulated emergency conditions, it is argued that the data collected under rush-hour conditions - where commuters are under time pressures to get to work on time - may be used to approximate emergency evacuation conditions - where commuters are also under time pressures to exit the building as quickly as possible. Data pertaining to escalator/stair choice, proportion of walkers to riders, walker speeds and side usage are presented. The collected data is used to refine the buildingEXODUS escalator model allowing the agents to select whether to use an escalator or neighbouring parallel stair based on congestion conditiions at the base of the stair/escalator and expected travel times. The new model, together with the collected data, is used to simulate a series of hypothetical evacuation scenarios to demonstrate the impact of escalators on evacuation performance.

Investigation of the permeation of model formulations and a commercial ibuprofen formulation in Carbosil® and human skin using ATR-FTIR and multivariate spectral analysis

The purpose of the present study was to use attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) and target factor analysis (TFA) to investigate the permeation of model drugs and formulation components through Carbosil® membrane and human skin. Diffusion studies of saturated solutions in 50:50 water/ethanol of methyl paraben (MP), ibuprofen (IBU) and caffeine (CF) were performed on Carbosil® membrane. The spectroscopic data were analysed by target factor analysis, and evolution profiles of the signal for each component (i.e. the drug, water, ethanol and membrane) over time were obtained. Results showed that the data were successfully deconvoluted as correlations between factors from the data and reference spectra of the components, were above 0.8 in all cases. Good reproducibility over three runs for the evolution profiles was obtained. From the evolution profiles it was observed that water diffused better through the Carbosil® membrane than ethanol, confirming the hydrophilic properties of the Carbosil® membrane used. IBU diffused slower compared with MP and CF. The evolution profile of CF was very similar to that of water, probably because of the high solubility of CF in water, indicating that both compounds are diffusing concurrently. The second part of the work involved a study of the evolution profiles of the components of a commercial topical gel containing 5% (w/w) of ibuprofen as it permeated through human skin. Although the system was much more complex, data were still successfully deconvoluted and the different components of the formulation identified except for benzyl alcohol which might be attributed to the low concentrations of benzyl alcohol used in topical formulations. (C) 2009 Elsevier B.V. All rights reserved.

Using a modified shepards method for optimization of a nanoparticulate cyclosporine a formulation prepared by a static mixer technique

An innovative methodology has been used for the formulation development of Cyclosporine A (CyA) nanoparticles. In the present study the static mixer technique, which is a novel method for producing nanoparticles, was employed. The formulation optimum was calculated by the modified Shepard's method (MSM), an advanced data analysis technique not adopted so far in pharmaceutical applications. Controlled precipitation was achieved injecting the organic CyA solution rapidly into an aqueous protective solution by means of a static mixer. Furthermore the computer based MSM was implemented for data analysis, visualization, and application development. For the optimization studies, the gelatin/lipoid S75 amounts and the organic/aqueous phase were selected as independent variables while the obtained particle size as a dependent variable. The optimum predicted formulation was characterized by cryo-TEM microscopy, particle size measurements, stability, and in vitro release. The produced nanoparticles contain drug in amorphous state and decreased amounts of stabilizing agents. The dissolution rate of the lyophilized powder was significantly enhanced in the first 2 h. MSM was proved capable to interpret in detail and to predict with high accuracy the optimum formulation. The mixer technique was proved capable to develop CyA nanoparticulate formulations.