Structure and adsorption of ions on muscovite mica surfaces from molecular dynamics simulation

Involved People: Alper T. Celebi, Matteo Olgiati, Ulrich Ramach, Julia Appenroth, Katrin Holzfeind.

An extensive molecular understanding of solid-liquid interfaces is essential for a wide range of biological, physical and chemical processes spanning from the swelling of clays, adhesion, lubrication, catalysis to the assembly of the soft biological matters. Ion-specific effects on the structure and energetics of the interface are significantly elusive. In this project, we carry out Molecular Dynamics simulations to explore the role of different metal ions (monovalent, divalent and multivalent) on the structure and adsorption behavior of water-muscovite mica interfaces.

Simulation results will be compared with the experimental findings of high-resolution atomic force microscope (AFM) spectroscopy and/or surface force apparatus (SFA). Then, more complex species such as ionic liquids and biological molecules will be investigated. By combining molecular simulations and experiments, this project will demonstrate more accurate description of the structure and dynamics of a wide-selection of ions at water-mica interfaces at different ionic conditions.

Contact: Dr. Alper Celebi