Fourier transform infrared (FTIR) spectroscopy investigations in the near infrared (N1R) region of synthetic and natural kaolinites with various octahedral substitutions have been carried out in order to elucidate the relationships between the substituted cations and specific features of the NIR spectra. The combination modes of the OH stretching and bending vibrations characterizing Fe(III), Ga(III) and Cr(III) octahedral substitutions are identified in the NIR region at 4466, 4498 and 4474 cm-1, respectively, and the first overtones of the OH stretching vibrations at 7018, 7018 and 6986 cm-1, respectively. As far as we know, the bands of kaolinites containing Ga(III) or Cr(III) have not been reported yet. For both Ga(III) and Cr(III), the NIR observations explain why the bending vibration bands of AlGaOH and AlCrOH groups are not observed in the middle infrared (MIR) region.

Magnetism can greatly impact the evolution of stars. In some stars with OBA spectral types there is direct evidence via the Zeeman effect for stable, large-scale magnetospheres, which lead to the spin-down of the stellar surface and reduced mass loss. So far, a comprehensive grid of stellar structure and evolution models accounting for these effects was lacking. For this reason, we computed and studied models with two magnetic braking and two chemical mixing schemes in three metallicity environments with the mesa software instrument. We find notable differences between the subgrids, which affects the model predictions and thus the detailed characterisation of stars. We are able to quantify the impact of magnetic fields in terms of preventing quasi-chemically homogeneous evolution and producing slowly-rotating, nitrogen-enriched (“Group 2”) stars. Our model grid is fully open access and open source.

We summarize a series of numerical experiments of collisional dynamics in dense stellar systems such as globular clusters (GCs) and in weakly collisional plasmas using a novel simulation technique, the so-calledMulti-particle collision (MPC) method, alternative to Fokker-Planck and Monte Carlo approaches. MPC is related to particle-mesh approaches for the computation of self consistent long-range fields, ensuring that simulation time scales with N log N in the number of particles, as opposed to N2 for direct N-body. The collisional relaxation effects are modelled by computing particle interactions based on a collision operator approach that ensures rigorous conservation of energy and momenta and depends only on particles velocities and cell-based integrated quantities.

Recently, much effort has been directed towards reaching a consensus on the use of antipsychotic medication in the United Kingdom (UK) and in France. Anecdotal evidence suggests, however, that any differences that may exist between practitioners in the UK are only minor in comparison to those between practitioners in the various countries in the European Union. A comparison was conducted of the number of prescribed antipsychotic compounds, as well as their way of administration, in two samples of schizophrenic patients in the UK and France. French patients were much more likely to have been prescribed two or more antipsychotic compounds, either alone (relative risk: RR = 26.3; 95% CI: 3.8-190.6), or in combination with a depot preparation (RR = ∞; Fisher's exact test P = 0.04). British patients were more likely to have been prescribed a single depot preparation (RR = 4.7; 95% CI: 2.3-9.9). These disparities are related to contrasting views on the properties and indications of antipsychotics in the two countries. Given these disparities, working towards a European consensus appears essential.

The IR spectra of -saturated smectites were examined in terms of their charge characteristics. The υ4 band near 1440 cm-1, observed in the DRIFTS spectra (obtained without use of a KBr matrix), was assigned to the vibrations of ions compensating the negative charge of the clays. When KBr was used as a diluting matrix, the υ4 band was located at 1400 and/or 1440 cm-1. The band at 1400 cm-1, related to NH4Br, originated from the replacement of in the clay by K+ from the KBr. For swelling clay minerals this band indicates that layers have permanent low charge density and/or variable charge. For non-swelling clay minerals, the 1400 cm-1 band characterizes the presence of variable charges only. The υ4 band at 1440 cm-1 suggests that in the clay was not replaced by K+ from KBr and remains in the interlayer space of the clay minerals. This absorption is due to compensating only permanent charge in the interlayers, or part of the interlayers with a high charge density. The presence of both bands at 1400 cm-1 and 1440 cm-1 in the IR spectrum suggests that the clays studied have a heterogeneous interlayer charge.

The SEM, XRD, FFIR and DTA analyses of different size-fractions of clay material from sandstone reservoirs which have experienced a large range of burial conditions have been used to examine the different steps of the depth-related kaolinite-dickite reaction. Dickite progressively replaced kaolinite within a range of burial depths estimated between about 2500 m and 5000 m. The kaolinite-to-dickite reaction proceeds by gradual structural changes concomitant to crystal coarsening and change from booklet to blocky morphology. The crystallization of dickite proceeds by two distinct paths: (1) Accretion of new material from either dissolution of smaller unstable kaolinite crystals and/or detrital minerals (chiefly feldspars), on early-formed coarser metastable kaolinite crystals which exert extended morphological control on the growing crystals. (2) Neoformation of ordered dickite which will continue to grow by a dissolution-crystallization process. The kaolinite-todickite reaction is kinetically controlled and anomalies in the kaolinite/dickite ratio observed in certain sandstone reservoirs may be used to assess the timing of invasion by hydrocarbons.

A near infrared (NIR) spectroscopy approach was undertaken to collect information on the Al cationic distribution in tetrahedral and octahedral sites in natural chlorite (clinochlore) samples. Structural formulae were established using electron microprobe and Mössbauer spectroscopy. A band located near 7115 cm–1 was attributed to the overtone of OH fundamental stretching mode of Mg2AlOH and increases with the total Al amount. Good correlation was obtained between the (SiAl)O–OH vibration band area and tetrahedral Al content, making it easy to partition Al (and thus Fe3+) between octahedral and tetrahedral sites.

A new method of measuring the layer charge of smectites by IR spectroscopy is proposed based on the integrated intensity measurement of the band assigned to the ammonium fundamental ν4 mode of NH+4-exchanged clays. Measurements are made before and after Li fixation (Hofman & Klemen effect). These allow the quantitative determination of the total charge, equivalent to CEC, and tetrahedral and octahedral charge distribution in both dioctahedral and trioctahedral smectites.

Deuteration (H/D substitution at 200ºC) was performed on powders of two ground talcs of different particle shapes (different basal/lateral surface ratios). Results indicate that the deuteration process is only efficient on lateral talc surfaces, and suggest that the hydrogens located in the hexagonal ring of the talc basal surfaces are not exchanged. The FTIR spectra collected from the two talc samples show that it is possible to discriminate between particles with the same specific surface area but with different basal/lateral surface ratios using the deuteration process.

Halloysite clay minerals are ubiquitous in soils and weathered rocks where they occur in a variety of particle shapes and hydration states. Diversity also characterizes their chemical composition, cation exchange capacity and potassium selectivity. This review summarizes the extensive but scattered literature on halloysite, from its natural occurrence, through its crystal structure, chemical and morphological diversity, to its reactivity toward organic compounds, ions and salts, involving the various methods of differentiating halloysite from kaolinite. No unique test seems to be ideal to distinguish these 1:1 clay minerals, especially in soils. The occurrence of 2:1 phyllosilicate contaminants appears, so far, to provide the best explanation for the high charge and potassium selectivity of halloysite. Yet, hydration properties of the mineral probably play a major role in ion sorption. Clear trends seem to relate particle morphology and structural Fe. However, future work is required to understand the possible mechanisms linking chemical, morphological, hydration and charge properties of halloysite.

Diffuse reflectance spectra in the near-infrared region are presented for Li-saturated smectites heated up to 200°C. The smectites included three montmorillonites, an Fe-beidellite and a ferruginous smectite. Unheated samples showed a complex band near 7060 cm-1 assigned to the first overtone of the OH-stretching mode of structural hydroxyl groups and bound H2O. The OH combination bands appeared in the 4600-4300 cm-1 region. Spectra of heated montmorillonites showed an upward shift and splitting of the OH-overtone band into two components near 7170 and 7110 cm-1. The presence of a band near 7170 cm-1, assigned to the overtone of the AlMgLiOH-stretching vibration, implied that local trioctahedral domains were created upon Li(I) fixation in the previously vacant octahedral positions of montmorillonites. The OH combination bands were shifted to higher frequencies and a new band appeared near 4472 cm-1 in the spectra of montmorillonites heated to temperatures in excess of 130°C. No features indicating Li(I) in the structure of Fe-beidellite or ferruginous smectite were observed in the NIR spectra.

Fe-rich smectites from lateritic weathering profiles have previously been studied by XRD, ICP-AES, SEM-EDX and TEM-EDX analyses (Gaudin et al., 2004). These smectites exhibit intermediate chemistries between five end-members: Al-Fe beidellites, Al-Fe montmorillonites and Mg+Ni-saponite. The spectroscopic study by FTIR and XAS of these smectites reveals that: (1) tetrahedral Fe3+ is near or below the detection limit (0.05 cation for 4Si); (2) the large chemical variability is due to substitution of the three major cations (Fe, Al, Mg) within adjacent octahedra; (3) Ni is not concentrated in another clay phase such as Ni-kerolite and is located in the octahedral sheets of smectite; (4) octahedral cations are not randomly distributed but ordered in separated Fe, Al, Mg, Ni clusters; (5) the Mg-Ni saponite end-member actually appears as small trioctahedral clusters of Mg and Ni distributed within the dioctahedral smectite.

An Fe-rich smectite from Ölberg (Germany) was characterized using X-ray diffraction, infrared spectroscopy and analytical electron microscopy. Progressive reduction of the octahedral charge was performed through the Hofmann & Klemen effect at increasing temperatures. The sample was heterogeneous, consisting of two smectite populations. One population, which comprises a minor portion of the sample, is an ‘Fe3+-montmorillonite’ with little or no tetrahedral charge and Fe3+ as the major octahedral cation. The other population, a major constituent of the sample, contains less Mg and more Al than the first one and exhibits some tetrahedral charge. This fraction may be considered as an inter-grade between nontronite (dominant tetrahedral charge) and Fe3+-montmorillonite (dominant octahedral charge). These two populations may occur as separate particles but also as interstratified layers.