106 citations · 672 across the 28 of their papers we have counts for
6 papers · 1 filter
Steady-state molecular dynamics simulation of vapour to liquid nucleation with McDonald's daemon
Martin Horsch, Svetlana Miroshnichenko, Jadran Vrabec
The most interesting step of condensation is the cluster formation up to the critical size. In a closed system, this is an instationary process, as the vapour is depleted by the em…
Grand canonical steady-state simulation of nucleation
Martin Horsch, Jadran Vrabec
Grand canonical molecular dynamics (GCMD) is applied to the nucleation process in a metastable phase near the spinodal, where nucleation occurs almost instantaneously and is limite…
Poiseuille flow of liquid methane in nanoscopic graphite channels by molecular dynamics simulation
Martin Horsch, Jadran Vrabec, Martin Bernreuther +1
MD simulations of methane confined between graphite walls with up to 4,800,000 interaction sites, i.e., carbon atoms and methane molecules, are conducted, where the channel width i…
Molecular modeling and simulation of thermophysical properties: Application to pure substances and mixtures
Bernhard Eckl, Martin Horsch, Jadran Vrabec +1
At the Institute for Thermodynamics and Thermal Process Engineering (ITT) about 100 molecular models for pure substances have been developed so far. These models reproduce vapor pr…
Modification of the classical nucleation theory based on molecular simulation data for surface tension, critical nucleus size, and nucleation rate
Martin Horsch, Jadran Vrabec, Hans Hasse
Nucleation in supersaturated vapor is investigated with two series of molecular dynamics simulations in the canonical ensemble. The applied methods are: (a) analysis of critical nu…
Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics
Martin Horsch, Jadran Vrabec, Martin Bernreuther +5
Molecular dynamics (MD) simulation is applied to the condensation process of supersaturated vapors of methane, ethane, and carbon dioxide. Simulations of systems with up to a milli…