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Multi-Block Copolymers in Selective Solvent: A Brownian Dynamics Simulation

Published online by Cambridge University Press:  01 February 2011

Yongsheng Liu ,
Huifen Nie ,
Rama Bansil ,
Zhenli Zhang  and
Sharon Glotzer
Yongsheng Liu
Affiliation:
Center of Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215
Huifen Nie
Affiliation:
Center of Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215
Rama Bansil
Affiliation:
Center of Polymer Studies and Department of Physics, Boston University, Boston, Massachusetts 02215
Zhenli Zhang
Affiliation:
Department of Chemical Engineering and Materials Science & Engineering, University of Michigan, Ann Arbor, Michigan 48109
Sharon Glotzer
Affiliation:
Department of Chemical Engineering and Materials Science & Engineering, University of Michigan, Ann Arbor, Michigan 48109
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Abstract

We performed Brownian Dynamics simulations of multiblock copolymers of A and B polymers in a solvent selective for the A block at a volume fraction of 20%. Tri-, penta- and heptabocks were simulated. Fourier transformation reveals micellar clusters arranged in a BCC lattice, in agreement with scattering experiments. The clusters were analyzed using a percolation approach and we observed larger clusters when the outermost block was in the poor solvent condition. The ratio of number of loops to bridges decreases as the number of blocks in the copolymer increases, as does the polydispersity. Increased penalty of looping as the number of blocks increases leads to a larger number of smaller clusters with more bridges.

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