67 datasets found

In this novel proposal we will investigate adsorption onto the non-equilibrium face of calcite the first time this has been attempted. This will compliment and extend our...

We wish to develop a rational understanding of the mechanisms underlying the way water soluble polymer brushes - in particular those of polyethylene oxide/polyethylene glycol -...

Proteins from Moringa trees have attracted considerable interest as flocculents for water purification and possibly as materials for remediation of contaminated soil....

The adsorption of a liquid crystal dopant to a surface can have a significant impact on its properties such as electro-optic response and lubrication. The interesting adsorption...

Hydrophobins are secreted fungal proteins and are small lipopeptide biosurfactants. They are strongly surface active and self-assemble at interface, and these unique film...

Pyrite (FeS2) is a hydrophobic mineral surface, i.e. of a type thus far inaccessible to the types of aqueous adsorption experiments suitable for study by reflectometry (NR), but...

The purpose with the proposed project is to provide a better understanding of structural changes in interfacial lipid layers due action of lipolytic enzymes. In this study we...

The interface of CaCO3 (calcite) and water is of paramount importance in a number of key academic and industrial areas, including scale deposition in domestic and industrial...

The fabrication of composite coatings based on silica with well defined physical properties represents a promising new approach to fine-tune mechanical, optical, electronic, and...

A recent experiment has provided clear evidence for a large maximum in the adsorption just below the critical micelle concentration of the surfactant hexadecyl trimethyl...

Amine-functionalised poly(alkylene oxides) are used extensively as swelling inhibitors in water-based drilling fluids. This study will broaden our understanding of the mechanism...

XYZ structures and trajectories for Cytochrome C modeling at the level of Density Functional Theory.

XYZ structures and trajectories for MoS-ions and molecules modeling, as well as the molecular dynamics at the level of Density Functional Theory.

This dataset contains simulation results in ASCII format accompanying the mentioned publication. The filename is structured in the following kind: Number of the figure in which...

This dataset contains results from classical Density Functional Theory (DFT) and Grand Canonical Monte Carlo (GCMC) Simulation. We report excellent agreement between the fluid...

This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter files are provided for all...

This dataset contains results from Grand Canonical Monte Carlo (GCMC) Simulation (data/isotherms_sim/) and experiment (data/isotherms/exp). All Data is presented in a jupyter...

All primary data files and processed data of the journal article from C1 group. Containing MAS NMR and IR data. NMR data (.dx-file) can be opened with Topspin.

Videos showing water molecules at a sodium chloride (NaCl) solid surface for different water content. The force field for the water is TIP4P/epsilon...

Videos showing water molecules at a rough sodium chloride solid surface for different roughness and different water chemical potential. The force field for the water is...