Modeling nitrate fluxes at the catchment scale using the integrated tool CAWAQS

Nitrates fluxes in the Grand Morin basin (1200 km(2)), that is subjected to intense agricultural pressure, are considered using in-stream observations (around 250 sampling days over 5 years) and physically based simulations using the CAWAQS model (CAtchment WAter Quality Simulator). In-stream nitrate concentration averaged 6 mg N L(-1), increasing by approximately 0.2 mg N L(-1) yr(-1) around this value (period 1991-1996). Our results show that, over the period of 1991-1996, the differences between in-stream observed nitrate concentrations and simulated nitrate concentrations result from nitrate losses at the basin scale. These losses are due to denitrification by transfer through wetlands, alluvial plains, the hyporheic zone, and by benthic processes in rivers. A mean annual mass balance at the basin scale indicates that 40% of the infiltration flux (3360 kg N km(-2) yr(-1)) is removed from the system via the river network, 40% is stored in aquifers and 20% is lost by denitrification (period 1991-1996).     

Bioactivity modulation of Bioglass® powder by thermal treatment

A discussion of the effects of Bioglass^® powder crystallisation on the in vitro bioactivity in simulated body fluid (SBF) is presented.Starting from Bioglass^® powder, different glass–ceramics were obtained by thermal treatments between 580 °C and 800 °C, with variable crystallisation content (from 10 to 92 wt%). All samples (glass and glass–ceramics) showed apatite formation at their surface when immersed in SBF. In case of the glass and the samples with lowest crystallinity, the first step of apatite formation involved a homogenous dissolution followed by an amorphous calcium phosphate (CaP) layer precipitation. For the samples with a high crystallisation content, heterogeneous dissolution occurred. For the first time, the Stevels number of the amorphous phase is used to explain the possible dissolution of the crystalline phase present in materials with a similar chemical composition of the Bioglass^®. All samples presented at 21 days of immersion in SBF B-type hydroxycarbonate apatite crystals.     

Identification of asymmetric constitutive laws at high temperature based on Digital Image Correlation

The mechanical characterization of ceramics can be very challenging. Depending on their composition and fabrication process, ceramic materials may exhibit at room temperature different types of mechanical behaviours, ranging from linear elastic to quasi-brittle, like rocks, concrete or plasters. At elevated temperature, they may present a non-linear behaviour, due for instance to the presence of a vitreous phase. However, estimating the evolution of their behaviour from room temperature to elevated temperature is a challenging topic, especially when there is an asymmetry between tension and compression. A methodology based on Digital Image Correlation is presented in this paper where four point bending tests are analysed for temperatures ranging from 25 °C to 900 °C. For a ceramic mainly made of aluminium titanate, the evolution of an asymmetric constitutive law is identified with a strong link with microstructural observations using SEM images.     

A general procedure for the design of bulk acoustic wave filters

This article presents a procedure for the design of bulk acoustic wave (BAW) filters. The procedure consists of optimizing the modified Butterworth‐Van Dyke model of each resonator, considering appropriate technological parameters. The approach is demonstrated first to design a classical aluminum nitride‐based BAW filter but remains valid for other piezoelectric layers, considering either longitudinal or transverse acoustic wave coupling. The approach is finally applied to the design of a lithium niobate (LiNbO₃) BAW filter for wide‐band filtering applications. © 2011 Wiley Periodicals, Inc. Int J RF and Microwave CAE, 2011.     

LC/ESI-MS/MS characterisation of procyanidins and propelargonidins responsible for the strong antioxidant activity of the edible halophyte Mesembryanthemum edule L.

Mesembryanthemum edule is used as a food ingredient and in traditional medicine. In this study, we investigated antioxidant activities of several extracts (methanol/acidified water, v/v: 20/80; 40/60 and 60/40) obtained from M. edule leaf, stem and root. Then, individual phenolics were characterised by reverse-phase HPLC coupled to electrospray ionisation mass spectrometry and multi-stage MS fragment analysis. Results showed that 40% methanol leaf extract, 40% methanol root extract and 20% methanol stem extract displayed the highest scavenging activity against DPPH and ABTS radicals. Regarding LC/ESI-MS/MS identification of active phenols, there were significant differences among the fractions of interest. In fact, 40% leaf extract mainly contained procyanidins, whereas propelargonidins were the major phenolics in 20% methanol stem extract, while, in 40% root extract, the active compounds remained unidentified. These results indicate that edible M. edule can be used as a nutraceutical in the pharmaceutical industry.     

A critical approach to viscosity index

The viscosity index (VI) is a useful tool for lubricant users and refiners, since it is a measure of the effect of temperature changes on the viscosity of the oil. However, it was found that the viscosity index does not correlate with the flow activation energy E_a, which is the theoretically defined dependence of the viscosity on temperature. In this way, two oils may have the same flow activation energy but a viscosity index varying by up to 120. We therefore believe that the VI does not always give a proper representation of the effect of temperature on the kinematic viscosity.¹³C NMR spectroscopy was used to identify the molecules with a high VI. Twenty different oil samples produced from eight different vacuum gas oils with viscosity indices ranging from −104 to 146 were analyzed and key parameters identified for high VI molecules: long alkyl chains, methyl branching in the centre of the molecule, low content of aromatic compounds, no ethyl branching and no tertiary carbons.A correlation based on four selected peaks was developed, giving a very good prediction of the viscosity index.     

Influence of morphologic texture on stress analysis by X-ray and neutron diffraction in single-phase metallic materials

In this work, a study on the influence of morphologic texture on the residual stress determination by diffraction in metallic materials with cubic and hexagonal symmetry is proposed. To this end, elastic self-consistent model has been developed to properly take into account the morphologic texture. Extreme crystallites morphologies (sphere, disc and fibre) were studied, and coupled with the crystallographic texture to reflect the combined effect of morphologic and crystallographic texture in elasticity. In the case of morphologic texture, a stronger influence than the crystallographic texture on the estimated residual stresses (several tens of MPa difference) was observed. We propose a methodology through a scale transition model to take into account the influence of these different morphologies in the stress analysis by diffraction methods. The main purpose of this work was to make the best choice for lattice planes (hkl) used for residual or internal stress analysis, in elasticity, depending on the morphologic (and crystallographic) texture of the polycrystal, especially when the usual X-ray Elasticity Constants (XECs) are used instead of the stress factors.     

A Decade of Oxothiomolybdenum Wheels: Synthesis,Behavior in Solution,and Electrocatalytic Properties

The last decade has see the development of sulfur-containing polyoxometalates (POTMs) as a subclass of the polyoxometalate family. The structural and physico-chemical properties of this emerging class of compounds is dominating by the striking coordination properties of the [Mo₂O₂S₂(OH₂)₆]²⁺ oxothio cation, used as a building block. The cyclic topology of this arrangement corresponds to the main feature of the {Mo₂O₂S₂}-based compounds, able to develop cycle-based chemistry. The control of the linear oligomerization of the {Mo₂O₂S₂} core is achieved by the presence of the anionic component, which acts as a template. Here, we report on recent examples which illustrate how the use of various template ions such as halide, sulfate, polyphosphate, and polycarboxylate anions allows to tune the nuclearity of the inorganic host from {Mo₈} to {Mo₁₈}. A special focus on behavior in solution is given, highlighting the dynamic and fluxional character of these host–guest systems. The Diffusion Ordered Spectroscopy (DOSY) ¹H NMR, carried out on a large series of cycle-based and capsule-like compounds, demonstrates that such a method can be applied for the speciation of POM anions in solution. Finally, electrocatalytic behavior of the {Mo₂O₂S₂}-based compounds is presented. Preliminary results show that the electrocatalytic reduction of protons into hydrogen (HER) could constitute one of the most relevant applications for this class of molecular compounds.     

Architectural Control of Freeze-Cast Ceramics Through Additives and Templating

The freezing of concentrated colloidal suspensions is a complex physical process involving a large number of parameters. These parameters provide unique tools to manipulate the architecture of freeze-cast materials at multiple length scales in a single processing step. However, we are still far from developing predictive models to describe the growth of ice crystals in concentrated particle slurries. In order to exert reliable control over the microstructural formation of freeze-cast materials, it is necessary to reach a deeper understanding of the basic relationships between the experimental conditions and the microstructure of the growing solid. In this work, we explore the role of several processing variables (e.g., composition of the suspension, freezing rate, and patterning of the freezing surface) that could affect the formulation strategies for the architectural manipulation of freeze-cast materials. We also demonstrate, using freeze-cast lamellar structures, that reducing the lamellar thickness by less than half increases the compressive strength by more than one order of magnitude.     

Wet air oxidation in a catalytic membrane reactor: Model and industrial wastewaters in single tubes and multichannel contactors

Recent results on catalytic wet air oxidation applied to a membrane contactor are presented that give new insight following a series of previous publications. Model and industrial effluents are treated in both single tube and multichannel catalytic systems. Characterisation of the catalytic material (solid analyses, electron microscopy, EDS and EPMA) is carried out, in order to determine the catalyst distribution. Catalytic results show performances heavily dependent on the nature of the effluent and the operating conditions, and to a lesser extent on the catalytic membrane characteristics. At 80 °C, an industrial effluent is oxidised at a membrane surface related rate of 3.8 mmol/s/m². This result is achieved using a membrane containing about 0.1 wt.% Pt. This allows a revised and improved technico-economical evaluation of the Watercatox process.