RESUMEN
The interaction of CaO and Ca(OH)2 with solvated or gaseous SO2 plays a crucial role in the corrosion of urban infrastructure by acid rain or in the removal of SO2 from flue gas. We carried out a combined spectroscopic and theoretical investigation on the interaction of SO2 with a CaO(001) single crystal. First, the surface chemistry of SO2 was investigated at different temperatures using polarization-resolved IR reflection absorption spectroscopy. Three species were identified, and an in-depth density functional theory study was carried out, which allowed deriving a consistent picture. Unexpectedly, low temperature exposure to SO2 solely yields a physisorbed species. Only above 100â K, the transformation of this weakly bound adsorbate first to a chemisorbed sulfite and then to a sulfate occurs, effectively passivatating the surface. Our results provide the basis for more efficient strategies in corrosion protection of urban infrastructure and in lime-based desulfurization of flue gas.
RESUMEN
Interest in the use of natural fibres as an alternative for artificial fibres in polymer composite manufacturing is increasing for various engineering applications. Their suitability for use in outdoor environments should be demonstrated due to their perceived hydrophilic behaviour. This study investigated the water absorption behaviour of hybrid flax fibre-reinforced epoxy composites with 0%, 0.5%, 1% and 1.5% graphene by weight that were immersed in water for 1000, 2000, and 3000 h. The flexural and interlaminar shear strength before and after immersion in water was then evaluated. The results showed that graphene nanoparticles improved the mechanical properties of the composites. The moisture absorption process of hybrid natural fibre composites followed the Fickian law, whereas the addition of graphene significantly reduced the moisture absorption and moisture diffusion, especially for hybrid composites with 1.5% graphene. However, the flexural and ILSS properties of the composites with and without graphene decreased with the increase in the exposure duration. The flexural strength of hybrid composites with 0%, 0.5%, 1% and 1.5% graphene decreased by 32%, 11%, 17.5% and 13.4%, respectively, after exposure for 3000 h. For inter-laminar shear strength at the same conditioning of 3000 h, hybrid composites with 0.5%, 1% and 1.5% graphene also decreased by 13.2%, 21% and 17.5%, respectively, compared to the dry composite's strength. The specimens with 0.5% graphene showed the lowest reduction in strength for both the flexural and interlaminar tests, due to good filler dispersion in the matrix, but all of them were still higher than that of flax fibre composites. Scanning electron microscope observations showed a reduction in voids in the composite matrix after the introduction of graphene, resulting in reduced moisture absorption and moisture diffusion.
RESUMEN
Natural fibers are now becoming widely adopted as reinforcements for polymer matrices to produce biodegradable and renewable composites. These natural composites have mechanical properties acceptable for use in many industrial and structural applications under ambient temperatures. However, there is still limited understanding regarding the mechanical performance of natural fiber composites when exposed to in-service elevated temperatures. Moreover, nanoparticle additives are widely utilized in reinforced composites as they can enhance mechanical, thermal, and physical performance. Therefore, this research extensively investigates the interlaminar shear strength (ILSS) and flexural properties of flax fiber composites with graphene at different weight percentages (0%, 0.5%, 1%, and 1.5%) and exposed to in-service elevated temperatures (20, 40, 60, 80, and 100 °C). Mechanical tests were conducted followed by microscopic observations to analyze the interphase between the flax fibers and epoxy resin. The results showed that a significant improvement in flexural strength, modulus, and interlaminar shear strength of the composites was achieved by adding 0.5% of graphene. Increasing the graphene to 1.0% and 1.5% gradually decreased the enhancement in the flexural and ILSS strength. SEM observations showed that voids caused by filler agglomeration were increasingly formed in the natural fiber reinforced composites with the increase in graphene addition.
RESUMEN
In this paper, we report about the influence of the chemical potential of water on the carbonation reaction of wollastonite (CaSiO3) as a model surface of cement and concrete. Total energy calculations based on density functional theory combined with kinetic barrier predictions based on nudge elastic band method show that the exposure of the water-free wollastonite surface to CO2 results in a barrier-less carbonation. CO2 reacts with the surface oxygen and forms carbonate (CO3(2-)) complexes together with a major reconstruction of the surface. The reaction comes to a standstill after one carbonate monolayer has been formed. In case one water monolayer is covering the wollastonite surface, the carbonation is no more barrier-less, yet ending in a localized monolayer. Covered with multilayers of water, the thermodynamic ground state of the wollastonite completely changes due to a metal-proton exchange reaction (also called early stage hydration) and Ca(2+) ions are partially removed from solid phase into the H2O/wollastonite interface. Mobile Ca(2+) reacts again with CO2 and forms carbonate complexes, ending in a delocalized layer. By means of high-resolution time-of-flight secondary-ion mass spectrometry images, we confirm that hydration can lead to a partially delocalization of Ca(2+) ions on wollastonite surfaces. Finally, we evaluate the impact of our model surface results by the meaning of low-energy ion-scattering spectroscopy combined with careful discussion about the competing reactions of carbonation vs hydration.