U. Dortona et al., TERRACED SPREADING MECHANISMS FOR CHAIN MOLECULES, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 53(1), 1996, pp. 562-569
The behavior of monomolecular layers of fluid spreading on a solid sub
strate is examined using molecular dynamics simulations of polymerlike
liquids. We consider drops of chain molecules of lengths 8 and 16, co
mposed of Lennard-Jones atoms bound by confining potentials, spreading
on an atomic solid substrate. Different strengths of the solid-fluid
interaction are studied, in cases where a spreading drop forms distinc
t layers. We emphasize the conformational properties of the molecules
while spreading and the dynamics of the individual layers. In particul
ar, the questions of interlayer mass transfer and permeability are exa
mined in the light of theoretical models.