Macromolecules, Vol.29, No.25, 8241-8248, 1996
Diblock Copolymers at a Homopolymer-Homopolymer Interface - A Monte-Carlo Simulation
The properties of diluted symmetric A-B diblock copolymers at the interface between A and B homopolymer phases are studied by means of Monte Carlo (MC) simulations of the bond fluctuation model. We calculate segment density profiles as well as orientational properties of segments, of A and B blocks, and of the whole chain. Our data support the picture of oriented "dumbbells", which consist of mildly perturbed A and B Gaussian coils. The results are compared to a self-consistent field theory (SCFT) for single copolymer chains at a homopolymer interface. We also discuss the number of interaction contacts between monomers, which provide a measure for the "active surface" of copolymers or homopolymers close to the interface.
Keywords:MICROPHASE SEPARATION TRANSITION;SEGMENT DENSITY DISTRIBUTION;POLYMER-POLYMER INTERFACE;ORDERED BLOCK COPOLYMERS;2 MONOMERIC HOMOPOLYMERS;IMMISCIBLE POLYMERS;PHASE-TRANSITIONS;MICELLE FORMATION;CRITICAL-BEHAVIOR;MOLECULAR-WEIGHT