Dresden 2014 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

CPP: Fachverband Chemische Physik und Polymerphysik

CPP 37: Poster Session 2

CPP 37.66: Poster

Mittwoch, 2. April 2014, 15:00–19:00, P3

Vapor-liquid nucleation of water investigated by molecular dynamics simulation — •Martin Wagner and Thomas Kraska — Institute for Physical Chemistry, University of Cologne, Luxemburger Str. 116, D-50939 Köln, Germany

The homogeneous nucleation of water vapor is investigated by molecular dynamics simulation. The investigation of water is of special interest because of the formation of hydrogen bonds which are expected to influence the nucleation. Starting from a homogeneous stable vapor phase the system is super-cooled by quenching in short time. The quench is initialized by changing the kinetic energy of a carrier gas, which then cools down the water system by molecular collisions leading to the onset of water nucleation. From the analysis of the cluster statistics and their development, the nucleation rate as well as the nucleation barrier and the critical cluster size are calculated. Besides regular water also heavy water is investigated and compared to the regular water data. The differences are compared to experimental data for both systems.