A modification of the electromigration device and modelling methods for diffusion and sorption studies of radionuclides in intact crystalline rocks.

To determine the diffusion and sorption properties of radionuclides in intact crystalline rocks, a new electromigration device was built and tested by running with I and Se(IV) ions. By introducing a potentiostat to impose a constant voltage over the studied rock sample, the electromigration device can give more stable and accurate experimental results than those from the traditional electromigration devices. In addition, the variation in the pH of the background electrolytes was minimised by adding a small amount of NaHCO as buffers.

Sorption of selenium species onto phlogopite and calcite surfaces: DFT studies.

Sorption of Se(IV) and Se(VI) species onto Mg-rich biotite (phlogopite) and calcite surfaces was investigated using molecular modelling techniques. A CASTEP code implemented into Materials Studio was used to calculate the periodic systems, site densities and site types on the phlogopite and calcite surfaces. According to the results, the Se oxyanions attach to both edge and basal surfaces of phlogopite via an oxygen atom.

Molecular Layer Deposition Using Ring-Opening Reactions: Molecular Modeling of the Film Growth and the Effects of Hydrogen Peroxide.

Novel coating materials are constantly needed for current and future applications in the area of microelectronics, biocompatible materials, and energy-related devices. Molecular layer deposition (MLD) is answering this cry and is an increasingly important coating method for organic and hybrid organic-inorganic thin films. In this study, we have focused on hybrid inorganic-organic coatings, based on trimethylaluminum, monofunctional aromatic precursors, and ring-opening reactions with ozone.

Using a low melting solvent mixture to extract value from wood biomass.

Green chemistry, sustainability and eco-efficiency are guiding the development of the next generation of industrial chemical processes. The use of non-edible lignocellulosic biomass as a source of chemicals and fuels has recently raised interest due to the need for an alternative to fossil resources. Valorisation mainly focuses on cellulose, which has been used for various industrial scale applications for decades.