Modified interfacial statistical associating fluid theory: application to tethered polymer chains.
Modified interfacial statistical associating fluid theory density functional theory is extended to tethered polymer chains in the absence or presence of free polymer chains. The structures of the "dry" and "wet" polymer brushes have been calculated and compared with simulation results available in the literature. The comparisons show that the theory accurately predicts the structure of the tethered polymer brush. The average brush heights calculated from the theory agree with well-established scaling theories for tethered polymers. However, these scaling theories cannot predict the detailed structure, accurately. The effects of the segment-segment interactions of the tethered polymer and the free polymer have been effectively captured by the theory.
Jain
Shekhar
S
Department of Chemical and Biomolecular Engineering, Rice University, Houston, TX 77005, USA. sjain@rice.edu
Jog
Prasanna
P
Weinhold
Jeffrey
J
Srivastava
Rakesh
R
Chapman
Walter G
WG