A molecular perspective on the structure and thermodynamics of ice interfaces in atmospherically relevant systems

The processes at the surface of ice modulate crystal growth, adsorption of solutes and atmospherically relevant chemical reactions. These processes are not well characterized, in part, due to lack of spatial and temporal resolution of the existing experimental techniques. Despite decades of investigation, how ice interface modulate the structure of ice grown in atmospheric conditions is yet to be elucidated. In this presentation I will discuss my work using molecular simulations and theory to elucidate the role of thermodynamics of ice interfaces in modulating the structure of atmospheric ices, and the behavior of solutes at the ice interface.

References
1. Hudait et al. Free energy contributions and structural characterization of stacking disordered ices. PCCP, 2016, 18 (14), 9544-9553.
2. Hudait et al. What Determines the Ice Polymorph in Clouds? JACS, 2016, 138 (28), 8958-8967.
3. Hudait et al. Sink or Swim: Ions and Organics at the Ice–Air Interface. JACS 2017, 139 (29), 10095-10103.