Computational modelling of variably saturated flow in porous media with complex three‐dimensional geometries

A computational procedure is presented for solving complex variably saturated flows in porous media, that may easily be implemented into existing conventional finite‐volume‐based computational fluid dynamics codes, so that their functionality might be geared upon to readily enable the modelling of a complex suite of interacting fluid, thermal and chemical reaction process physics. This procedure has been integrated within a multi‐physics finite volume unstructured mesh framework, allowing arbitrarily complex three‐dimensional geometries to be modelled. The model is particularly targeted at ore heap‐leaching processes, which encounter complex flow problems, such as infiltration into dry soil, drainage, perched water tables and flow through heterogeneous materials, but is equally applicable to any process involving flow through porous media, such as in environmental recovery processes. The computational procedure is based on the mixed form of the classical Richards equation, employing an adaptive transformed mixed algorithm that is numerically robust and significantly reduces compute (or CPU) time. The computational procedure is accurate (compares well with other methods and analytical data), comprehensive (representing any kind of porous flow model), and is computationally efficient. As such, this procedure provides a suitable basis for the implementation of large‐scale industrial heap‐leach models. Copyright © 2005 John Wiley & Sons, Ltd.     

Properties of the perovskites, SrMn1−xFexO3−δ (x=1/3, 1/2, 2/3)

The SrMn_1−xFe_xO_3−δ (x=1/3, 1/2, 2/3) phases have been prepared and are shown by powder X-ray and neutron (for x=1/2) diffraction to adopt an ideal cubic perovskite structure with a disordered distribution of transition-metal cations over the six-coordinate B-site. Due to synthesis in air, the phases are oxygen deficient and formally contain both Fe³⁺ and Fe⁴⁺. Magnetic susceptibility data show an antiferromagnetic transition at 180 and 140 K for x=1/3 and 1/2, respectively and a spin-glass transition at 5, 25, 45 K for x=1/3, 1/2 and 2/3, respectively. The magnetic properties are explained in terms of super-exchange interactions between Mn⁴⁺, Fe^(4+δ)+ and Fe⁽³⁺⁾⁺. The XAS results for the Mn-sites in these compounds indicate small Mn-valence changes, however, the Mn-pre-edge spectra indicate increased localization of the Mn-e_g orbitals with Fe substitution. The Mössbauer results show the distinct two-site Fe⁽³⁺⁾+/Fe^(4+δ)+ disproportionation in the Mn- substituted materials with strong covalency effects at both sites. This disproportionation is a very concrete reflection of a localization of the Fe-d states due to the Mn-substitution.