Molecular Dynamics Simulations of Droplet Evaporation in the Non-Linear Response Regime (A04)

• Subject Area: Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
• Term: from 2010 to 2021
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 84292822

We use molecular dynamics at different resolution to study droplets or part of droplets on substrates, which are so small that continuum descriptions are not applicable and molecular processes become important. On the substrate side, we investigate the influence of surface nanostructure on both evaporation and freezing of droplets. On the fluid side, we focus on the effects of complex solutes like nanoparticles and polymers on the evaporation dynamics.

• DFG Programme: CRC/Transregios
• Subproject of: TRR 75: Droplet Dynamics Under Extreme Ambient Conditions
• Applicant Institution: Universität Stuttgart
• Co-Applicant Institution: Technische Universität Darmstadt
• Project Head: Professor Dr. Florian Müller-Plathe