Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2005-07-15
Physics
Condensed Matter
Soft Condensed Matter
To be published in mol.phys(2005)
Scientific paper
10.1080/00268970500186086
We propose a systematic coarse-grained representation of block copolymers, whereby each block is reduced to a single ``soft blob'' and effective intra- as well as intermolecular interactions act between centres of mass of the blocks. The coarse-graining approach is applied to simple athermal lattice models of symmetric AB diblock copolymers, in particular to a Widom-Rowlinson-like model where blocks of the same species behave as ideal polymers (i.e. freely interpenetrate), while blocks of opposite species are mutually avoiding walks. This incompatibility drives microphase separation for copolymer solutions in the semi-dilute regime. An appropriate, consistent inversion procedure is used to extract effective inter- and intramolecular potentials from Monte Carlo results for the pair distribution functions of the block centres of mass in the infinite dilution limit.
Addison Chris I.
Hansen James P.
Krakoviack Vincent
Louis Anthony
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