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Volume 26 (3) 2020, 89–95

Monte Carlo Study of Triblock Self-Assembly by Cooperative Motion Algorithm

Wołoszczuk Sebastian 1, Banaszak Michał 1,2*

1 Faculty of Physics, Adam Mickiewicz University
ul. Uniwersytetu Poznańskiego 2, 61-614 Poznań, Poland

2 NanoBioMedical Centre, Adam Mickiewicz University
ul. Wszechnicy Piastowskiej 3, 61-614 Poznań, Poland
*E-mail: michal.banaszak@amu.edu.pl

Received:

Received: 30 August 2020; revised: 21 September 2020; accepted: 22 September 2020; published online: 30 September 2020

DOI:   10.12921/cmst.2020.0000025

Abstract:

We perform a comprehensive Monte Carlo study of the ABA triblock self-assembly by the Cooperative Motion Algorithm. Our attention is focused on three series of triblocks which are grown from parent AB diblocks of varying asymmetry. Unlike the previous studies in which the total length of the chain varies upon growing the terminal A-block, here we keep the fixed chain length for a given series. Moreover, we determine the order-disorder transition temperature as the τ parameter (being the ratio of the grown A-block to the length of the parent diblock) increases. In this case we find that the order-disorder transition temperature monotonically decreases for two asymmetric series which is different from the non-monotonic depression of T_ODT reported previously. We also construct a phase diagram which shows a variety of nanostructures as τ is increased.

Key words:

cooperative motion algorithm, Monte Carlo, triblock copolymers

References:

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[9]  N.   Metropolis,   A.W.   Rosenbluth,   M.N.   Rosenbluth, A.H. Teller, E. Teller, Equation of State Calculations by Fast Computing Machines, J. Chem. Phys. 21, 1087 (1953).

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[13] P. Knychala, M. Dziecielski, M. Banaszak, N.P. Balsara, Phase Behavior of Ionic Block Copolymers Studied by a Minimal Lattice Model with Short-Range Interactions, Macromolecules 46(14), 5724–5730 (2013).

[14] G.H. Fredrickson, The Equlibrium Theory of Inhomogeneous Polymers, Clarendon Press, Oxford (2006).

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