1 Physical Chemistry, Department of Chemistry, Technical University of Denmark2 Department of Chemistry, Technical University of Denmark3 University of Missouri4 University of Missouri
Molecular dynamics (MD) simulations and neutron diffraction experiments have been performed on n-dotriacontane (n-C32D66) monolayers adsorbed on a graphite basal-plane surface. The diffraction experiments show little change in the crystalline monolayer structure up to a temperature of similar to 350 K above which a large thermal expansion and decrease in coherence length occurs. The MD simulations provide evidence that this behavior is due to a phase transition in the monolayer in which intramolecular and translational order are lost simultaneously. This melting transition is qualitatively similar to the gel-to-fluid transition found in bilayer lipid membranes.
Physical Review Letters, 1999, Vol 83, Issue 12, p. 2362-2365