In this exercise students will replicate interactions in a simulated solvent
(water, ethanol, etc.) drop that have diameters of a few nanometers across. Students will
construct systems that will allow them to review some fundamental interactions such as
hydrogen bonding, dipole-dipole interactions and ion-dipole interactions. Students will
search for correlations or trends involving molecular interactions and physical
parameters. Students will look at ionic, atomic and small molecule interactions in a
nanodrop of a common solvent such as water, ethanol and methanol. The diameter of
these nanodrops typically ranges from two to six nanometers. Students will examine the
interaction of a solvent nanodrop with two enkephalin peptides to better understand
molecular folding.
Keywords: Solvents, chemical bonds, molecular interactions, correlations,
nanomaterials.
