Molecular Dynamic Simulations of Eicosanoic Acid and 18-Methyleicosanoic Acid Langmuir Monolayers
Journal of Physical Chemistry B, 111(37), 10849- 10852, August 2007
Stephen P. Kelty, Ph.D. Department of Chemistry and Biochemistry
R. L. McMullen
The conformational and dynamical properties of Langmuir monolayers of 18-methyleicosanoic acid (18-MEA) and the parent material, eicosanoic acid (EA), are compared using molecular dynamics simulations. Our findings show that the presence of the methyl group at the 18-position in 18-MEA induces unique intermolecular structural correlations compared to EA.