Molecular Dynamics simulations of perpendicular tetracosane films
POSTER
Abstract
We present the results of Molecular Dynamics computer simulations of perpendicular tetracosane (C$_{24}$H$_{50})$ films adsorbed onto a bilayer of tetracosane on graphite in the temperature range [100K, 500K]. Various structural and thermodynamic quantities are utilized to characterize the system's temperature evolution. The system goes from the low -- temperature solid phase supporting a perpendicular third layer to the collapse of the perpendicular film near $T$ = 300K to a dense, coalesced patch at high temperature.
*The authors gratefully acknowledge partial support of this work through Petroleum Research Fund grant PRF43277-B5