Surface forces in polymer fluids: a comparison between simulations and density functional theory.
A polymer density functional theory is evaluated in terms of its ability to predict interactions between large surfaces in a polymer fluid. Comparisons are made with results from simulations in an expanded isotension ensemble. The variation of the net surface-surface interaction with adsorption strength is examined. Cases where the monomers interact via a pure hard sphere potential are investigated, but we have also studied the effect of attractions between the monomers. In all cases, we obtain an almost quantitative agreement between the simulated results and the predictions from the polymer density functional theory.
Forsman
Jan
J
Lund University, Theoretical Chemistry, Chemical Center, P.O. Box 124, S-221 00 Lund, Sweden.
Broukhno
Andrei
A
Jönsson
Bo
B
Akesson
Torbjörn
T