Faculty Publications

Title

Transition mechanisms and phases of hexane physisorbed on graphite

Document Type

Conference

Keywords

Adsorption, Graphite, Hexane, Molecular dynamics, N-alkanes

Journal/Book/Conference Title

2005 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2005 Technical Proceedings

First Page

365

Last Page

368

Abstract

We present the results of molecular dynamics (MD) simulations of hexane adsorbed onto graphite at submonolayer (ρ<1), monolayer (ρ=1), and supermonolayer (ρ>1) coverages. We find the presence of three phases, the low temperature solid herringbone (HB) phase, the inter-mediate-nematic (IN) phase, and the isotropic fluid phase. For submonolayer coverages, we find that the IN phase disappears except for coverages very close to completion, however, for ρ>l we find an augmented IN phase with most molecules rolled normal to the substrate. We also observe for ρ

Original Publication Date

12-1-2005

This document is currently not available here.

Share

COinS