Docosane physisorption on graphite from heptane
- Last Updated: Thursday, 22 August 2013 09:40
System for simulation of preferred physisorption of long-chain alkane (6 beads, representing docosane) from short-chain alkane (2-bead, representing heptane).
REQUIRES special parameter files!
Starting conformation contains 18,000 graphite surface particles (5 layers) GRAP, and in total 600 docosane molecules (DOCO) and 16,200 heptane molecules (OCT).