Regensburg 2013 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 26: Focus: Wetting on smooth and rough surfaces: From spreading to superhydrophobicity II

CPP 26.5: Vortrag

Mittwoch, 13. März 2013, 16:15–16:30, H34

Understanding the behaviour of super-cooled liquid on nanostructured surfaces: A molecular dynamics study — Jayant Singh^1,2 and •Florian Müller-Plathe¹ — ¹Technische Universität Darmstadt, Theoretical Physical Chemistry, Petersenstr. 22, 64287 Darmstadt — ²Department of Chemical Engineering, Indian Institute of Technology Kanpur, Kanpur, India -208016, India

Understand the role of roughness of the surface in suppressing the ice formation is of critical importance in the design of ice-free nanostructured surfaces. While recent work has provided some insight to the design of superhydrophobic surfaces for deicing applications, yet it is not clear that having roughness leading to hydrophobicity itself is good enough for the smart design of ice-free nanostructure surface.

In this work, using extensive molecular dynamics we have investigated the behaviour of super cooled water on smooth and rough surfaces. Roughnesses of the order of 1-2 nm were created on graphite like surfaces. Water is modeled as monatomic water model. In particular, we investigate the role of surface fraction (fraction of solid on the interface) and roughness on the onset of crystallization while cooling from 270 K to 190 K with a cooling rate of 0.5-1K/ns. We also present in detail ice cluster growth and ice phases as observed for different rough surfaces.