The experimental prediction of the mechanical properties of minerals remains difficult because of their small particle size (typically < 2 micrometers). This work aims at examining, the effect of an applied mechani...The experimental prediction of the mechanical properties of minerals remains difficult because of their small particle size (typically < 2 micrometers). This work aims at examining, the effect of an applied mechanical constraint on the hydration behaviour in the case of Na rich-montmorillonite and its relation with the elastic properties. The mechanical constraint is created, at the laboratory scale, by applying a monoaxial pressure for unstressed host material (i.e. Na rich montmorillonite). The structural analysis before and after stress is achieved using an XRD profile modeling approach. This investigation allowed us to determine several structural parameters related to the nature, abundance, size, position and organization of exchangeable cation and water molecule in the interlamellar space along the c* axis. In order to evaluate the affected elastic properties, the GULP code have been used to study the structure and the interlamellar organization. Indeed, the bulk modulus and elastic constants of montmorilonite have been calculated from first principles within density functional theory (DFT). The obtained Young’s modulus for Na-montmorillonite interlayer varies from 5 GPa to 16 GPa. According to the interlamellar space configuration the calculated elastic constant tensors indicate that the a direction is slightly more flexible than the b direction. The calculated elastic constant tensor along c is much lower than the constants calculated along a and b.展开更多
The nacrite-LiCl hybrid composite material was prepared at room temperature by indirect inter-calation of lithium chloride between the planar layers of nacrite, a clay mineral, using acetone as a solvent. The structur...The nacrite-LiCl hybrid composite material was prepared at room temperature by indirect inter-calation of lithium chloride between the planar layers of nacrite, a clay mineral, using acetone as a solvent. The structural identification of the hybrid clay material was determined by means of X-ray diffraction (XRD), thermogravimetric analysis (TGA) and infrared spectroscopy (IR). The qualitative XRD analysis showed that the basal spacing value increased from 0.72 nm to 1.14 nm and revealed that the alkali halide intercalated successfully in the interlayer space of the nacrite framework. The quantitative XRD analysis allowed us to determine the optimum structural parameters related to the position and number of keyed ions and water molecules per half unit cell calculated along the c* axis and the goodness of fit parameter (Rp). The thermal properties of the elaborated hybrid were in great accordance with the XRD study and confirm the intercalation of the hydrated salt in the interlamellar space of nacrite. Moreover, IR spectroscopy enabled the study of the interactions between the silicate ‘‘networks’’ and the alkali halide.展开更多
Keying of lithium chloride alkali halide salt into the interlamellar space of nacrite clay mineral leads to a stable hybrid material that after calcination under inert atmosphere at 723 - 873 K induces an amorphous me...Keying of lithium chloride alkali halide salt into the interlamellar space of nacrite clay mineral leads to a stable hybrid material that after calcination under inert atmosphere at 723 - 873 K induces an amorphous metahybrid. The electrochemical impedance spectroscopy (EIS) was performed to investigate the electric/dielectric properties of the hybrid with various parameters: frequency and temperature. Equivalent circuit was proposed to fit the EIS data. The experiment results show that the ionic conduction mechanism is related to the motion of Li+ cations which are thermally activated, named the hopping model. Furthermore, the resulting metahybrid obtained from dehydroxylation of the formal hybrid shows a superionic behavior with high ionic conductivity up to 10﹣2 S·m﹣1, good electrochemical stability and can be used as a solid electrolyte material for Li-ion batteries.展开更多
文摘The experimental prediction of the mechanical properties of minerals remains difficult because of their small particle size (typically < 2 micrometers). This work aims at examining, the effect of an applied mechanical constraint on the hydration behaviour in the case of Na rich-montmorillonite and its relation with the elastic properties. The mechanical constraint is created, at the laboratory scale, by applying a monoaxial pressure for unstressed host material (i.e. Na rich montmorillonite). The structural analysis before and after stress is achieved using an XRD profile modeling approach. This investigation allowed us to determine several structural parameters related to the nature, abundance, size, position and organization of exchangeable cation and water molecule in the interlamellar space along the c* axis. In order to evaluate the affected elastic properties, the GULP code have been used to study the structure and the interlamellar organization. Indeed, the bulk modulus and elastic constants of montmorilonite have been calculated from first principles within density functional theory (DFT). The obtained Young’s modulus for Na-montmorillonite interlayer varies from 5 GPa to 16 GPa. According to the interlamellar space configuration the calculated elastic constant tensors indicate that the a direction is slightly more flexible than the b direction. The calculated elastic constant tensor along c is much lower than the constants calculated along a and b.
文摘The nacrite-LiCl hybrid composite material was prepared at room temperature by indirect inter-calation of lithium chloride between the planar layers of nacrite, a clay mineral, using acetone as a solvent. The structural identification of the hybrid clay material was determined by means of X-ray diffraction (XRD), thermogravimetric analysis (TGA) and infrared spectroscopy (IR). The qualitative XRD analysis showed that the basal spacing value increased from 0.72 nm to 1.14 nm and revealed that the alkali halide intercalated successfully in the interlayer space of the nacrite framework. The quantitative XRD analysis allowed us to determine the optimum structural parameters related to the position and number of keyed ions and water molecules per half unit cell calculated along the c* axis and the goodness of fit parameter (Rp). The thermal properties of the elaborated hybrid were in great accordance with the XRD study and confirm the intercalation of the hydrated salt in the interlamellar space of nacrite. Moreover, IR spectroscopy enabled the study of the interactions between the silicate ‘‘networks’’ and the alkali halide.
文摘Keying of lithium chloride alkali halide salt into the interlamellar space of nacrite clay mineral leads to a stable hybrid material that after calcination under inert atmosphere at 723 - 873 K induces an amorphous metahybrid. The electrochemical impedance spectroscopy (EIS) was performed to investigate the electric/dielectric properties of the hybrid with various parameters: frequency and temperature. Equivalent circuit was proposed to fit the EIS data. The experiment results show that the ionic conduction mechanism is related to the motion of Li+ cations which are thermally activated, named the hopping model. Furthermore, the resulting metahybrid obtained from dehydroxylation of the formal hybrid shows a superionic behavior with high ionic conductivity up to 10﹣2 S·m﹣1, good electrochemical stability and can be used as a solid electrolyte material for Li-ion batteries.
