M. Vacatello, MOLECULAR ARRANGEMENTS OF LIQUIDS OF CHAIN MOLECULES NEAR SOLID-SURFACES IN THE PRESENCE OF A DILUENT, Macromolecular theory and simulations, 3(2), 1994, pp. 325-331
The molecular arrangements near solid surfaces and in narrow slits of
liquid tridecane, containing 5 wt.-% of a diluent having the size and
the interactions of a methylene group, have been studied by atomistic
computer simulations using the Monte Carlo technique. The presence of
the diluent does not modify the tendency to form segmental layers near
the solid surfaces. However, the diluent is preferentially adsorbed a
t these surfaces, replacing part of the chain ends. As a result, the o
rdered structures with nearly two-dimensional chains found for the pur
e liquid in analogous conditions are partly destroyed.