BACKGROUND Reactive-transport simulation is a tool that is being used to estimate long-term trapping of CO2, and wellbore and cap rock integrity for geologic CO2 storage. We reacted end member components of a heterolithic sandstone and shale unit that forms the upper section of the In Salah Gas Project carbon storage reservoir in Krechba, Algeria with supercritical CO2, brine, and with/without ...

Using ab initio modeling we demonstrate that H atoms can break strained Si─O bonds in continuous amorphous silicon dioxide (a-SiO(2)) networks, resulting in a new defect consisting of a threefold-coordinated Si atom with an unpaired electron facing a hydroxyl group, adding to the density of dangling bond defects, such as E' centers. The energy barriers to form this defect from interstitial H at...

Atomistic simulations show that organosilicates, used as low permittivity dielectric materials in advanced integrated circuits, can be made substantially stiffer than amorphous silica, while maintaining a lower mass density. The enhanced stiffness is achieved by incorporating organic cross-links to replace bridging oxygen atoms in the silica network. To elucidate the mechanism responsible for t...

A post-synthesis deposition of vanadium silicalite-1 zeolite nanoparticles in the pores of SBA-15 results in a highly ordered hexagonal templated silica material with V-silicalite zeolitic plugs, giving rise to an increased crystallinity of the amorphous mesoporous walls.

1. Introduction The condensation of liquids from the gas phase and the pore emptying mechanism in mesoporous frameworks (pore size 2 – 50 nm) represents an important scientific issue owing both to the significant industrial relevance (catalysis, separation process, etc.), but also to its importance for the fundamental understanding of the behavior of fluids in confined space. In general, the fi...

Interfacial properties of n-alkylsilane monolayers on silica have been investigated with molecular dynamics simulations using both reactive and classical (i.e., nonreactive) force fields. A synthesis mimetic simulation (SMS) procedure using the reactive force field ReaxFF has been developed to mimic the experimental processing of silicon wafers involved in the preparation of alkylsilane monolay...

BACKGROUND Determination of quartz by Fourier transform infrared spectrometry (FTIR) is not specific: the obtained results are influenced by matrix components, some of which cause spectral interference. The aim of the study was to evaluate the effect of dust components responsible for spectral interference with quartz on the results of its determinations, and to develop methods to minimize the ...

A literature survey was performed to evaluate the state-of-the-art membrane systems for CO2/CH4 separation which is critical in the natural gas industry. The systems that were reviewed included zeolite, carbon, polymeric, mixed matrix, amorphous silica, and supported ionic liquid membranes. Supported ionic liquid CO2/CH4 selective membranes were synthesized in our laboratory by applying room te...

Angle-independent coloured films with superhydrophobicity were fabricated from quasi-amorphous arrays of monodispersed fluorinated silica nanoparticles via one-step spray coating. The film exhibited a high contact angle (>150°) and a low roll-off angle (~2°) and the colour could be tuned to blue, green and moccasin by varying the size of the nanoparticles.

For the first time, a method for sequential extraction of silicon (Si) from soils has been developed. This new method enables investigating different Si pools in soils and thus represents an important contribution to improve our understanding of biogeochemical Si-processes and global Si-cycling. The method fractionates and analyses various Si-pools, from the most mobile to immobile phases in so...