Search results for "silica"
showing 10 items of 1092 documents
Al-27 and Si-29 Solid-State NMR Characterization of Calcium-Aluminosilicate-Hydrate
2012
International audience; Calcium silicate hydrate (C-S-H) is the main constituent of hydrated cement paste and determines its cohesive properties. Because of the environmental impact of cement industry, it is more and more common to replace a part of the clinker in cement by secondary cementitious materials (SCMs). These SCMs are generally alumina-rich and as a consequence some aluminum is incorporated into the C-S-H. This may have consequences on the cohesion and durability of the material, and it is thus of importance to know the amount and the location of Al in C-S-H and what the parameters are that control these features. The present paper reports the Si-29 and Al-27 MAS NMR analyses of …
Modular Metal Chalcogenide Chemistry: Secondary Building Blocks as a Basis of the Silicate-Type Framework Structure of CsLiU(PS4)2
2011
The novel uranium thiophosphate CsLiU(PS4)2 has been synthesized by reacting uranium metal, Cs2S, Li2S, S, and P2S5 at 700 °C in an evacuated silica tube. The crystal structure was determined by single-crystal X-ray diffraction techniques. CsLiU(PS4)2 crystallizes in the rhombohedral space group Rc (a = 15.2797(7) A; c = 28.778(2) A, V = 5818.7(5) A3, Z = 18). The structure ofCsLiU(PS4)2 is a unique three-dimensional U(PS4)22– framework with large tunnels with an approximate diameter of 6.6 A running parallel to the crystallographic c axis. The tunnels are filled with Cs+ cations. The smaller Li+ cations are located at tetrahedral sites at the periphery of the channels. In the structure of …
Degradation of silica particles functionalised with essential oil components under simulated physiological conditions
2020
[EN] In this work, the biodurability of three silica particle types (synthetic amourphous silica, MCM-41 microparticles, MCM-41 nanoparticles) functionalised with three different essential oil components (carvacrol, eugenol, vanillin) was studied under conditions that represented the human gastrointestinal tract and lysosomal fluid. The effect of particle type, surface immobilised component and mass quantity on the physico-chemical properties of particles and silicon dissolution was determined. Exposure to biological fluids did not bring about changes in the zeta potential values or particle size distribution of the bare or functionalised materials, but the in vitro digestion process partia…
Interaction of Gold with Co-Condensed and Grafted HMS-SH Silica: A 29Si {1H} CP-MAS NMR Spectroscopy, XRD, XPS and Au LIII EXAFS Study
2010
Hexagonal mesoporous silica (HMS) is functionalised with mercaptopropyl groups by adopting two different procedures ; co-condensation and grafting. In both cases tetraethylorthosilicate (TEOS) and 3-mercaptopropyltriethoxysilane (3-MPTES) are used as the silicon and sulfur precursors, respectively. The obtained materials are analysed by several techniques such as N 2 sorption, TG-DTA, XRD, SAXS and-solid state 29 Si { 1 H} CP-MAS NMR spectroscopy. By taking advantage of the chemical interaction between gold and the -SH groups, the effect of the thiol addition procedure on the supporting capability of the functionalised silica is evaluated by depositing gold through the incipient wet impregn…
First Evidence of Tris(catecholato)silicate Formation from Hydrolysis of an Alkyl Bis(catecholato)silicate
2022
The hydrolysis of 3-ammoniumpropylbis(catecholato)silicate 1, giving two different silica-based materials containing different amounts of tris(catecholato)silicate, is reported. The latter species can be formed through an attack of catechol to the silicon atom in the pentacoordinate complex, in which the silicon-carbon bond is further activated toward electrophilic proton cleavage. The Knoevenagel reaction was used as a probe in order to test the availability of functional groups on the surface of such materials.
Multiarm cyclam-grafted mesoporous silica: a strategy to improve the chemical stability of silica materials functionalized with amine ligands
2009
We have explored in this work the stability and the reactivity of multiarm cyclam-grafted mesoporous silica samples in aqueous solution. A series of hybrid materials have been prepared by grafting silylated cyclam molecules bearing one, two, or four silyl groups onto both amorphous silica gel (K60) and ordered mesoporous silica (SBA15). Under these conditions, cyclam moieties are attached to the silica walls via one, two, or four arms. Various physicochemical techniques have been applied to characterize the functionalized solids (elemental analysis, 1H-29Si and 1H-13C CPMAS NMR, and N2 adsorption-desorption isotherms). The interest in two and four arms for improving the chemical stability i…
Protein delivery based on uncoated and chitosan-coated mesoporous silicon microparticles
2011
Mesoporous silicon is a biocompatible, biodegradable material that is receiving increased attention for pharmaceutical applications due to its extensive specific surface. This feature enables to load a variety of drugs in mesoporous silicon devices by simple adsorption-based procedures. In this work, we have addressed the fabrication and characterization of two new mesoporous silicon devices prepared by electrochemistry and intended for protein delivery, namely: (i) mesoporous silicon microparticles and (ii) chitosan-coated mesoporous silicon microparticles. Both carriers were investigated for their capacity to load a therapeutic protein (insulin) and a model antigen (bovine serum albumin) …
Structural and dynamical properties of sodium silicate melts: An investigation by molecular dynamics computer simulation
2001
We present the results of large scale computer simulations in which we investigate the static and dynamic properties of sodium disilicate and sodium trisilicate melts. We study in detail the static properties of these systems, namely the coordination numbers, the temperature dependence of the Q^(n) species and the static structure factor, and compare them with experiments. We show that the structure is described by a partially destroyed tetrahedral SiO_4 network and the homogeneously distributed sodium atoms which are surrounded on average by 16 silicon and other sodium atoms as nearest neighbors. We compare the diffusion of the ions in the sodium silicate systems with that in pure silica a…
The structure and stoichiometry of C-S-H
2004
Abstract This review relates to the models describing the structural evolution of calcium silicate hydrate (C-S-H) at the crystal–chemical level as a function of composition in terms of calcium to silicon ratio. The different models are compared and discussed in the light of recent spectroscopic and microscopic data. Taking into account the structure and the morphological properties of C-S-H, a surface reaction thermodynamic model has been proposed and discussed to predict and correlate the chemical and structural evolution of C-S-H with solution chemistry.
Bimodal Acidity at the Amorphous Silica/Water Interface
2015
International audience; Understanding the microscopic origin of the acid base behavior of mineral surfaces in contact with water is still a challenging task, for both the experimental and the theoretical communities. Even for a relatively simple material, such as silica, the origin of the bimodal acidity behavior is still a debated topic. In this contribution we calculate the acidity of single sites on the humid silica surface represented by a model for the hydroxylated amorphous surface. Using a thermodynamic integration approach based on ab initio molecular dynamics, we identify two different acidity values. In particular, some convex geminals and some type of vicinals are very acidic (pK…