Kinetics of hexagonal cylinders to face-centered cubic spheres transition of triblock copolymer in selective solvent: Brownian dynamics simulation

Abstract

The kinetics of the transformation from the hexagonal packed cylinder (HEX) phase to the face-centered-cubic (FCC) phase was simulated using Brownian Dynamics for an ABA triblock copolymer in a selective solvent for the A block.The kinetics was obtained by instantaneously changing either the temperature of the system or the well-depth of the Lennard-Jones potential. Detailed analysis showed that the transformation occurred via a rippling mechanism. The simulation results indicated that the order-order transformation (OOT) was a nucleation and growth process when the temperature of the system instantly jumped from 0.8 to 0.5. The time evolution of the structure factor obtained by Fourier Transformation showed that the peak intensities of the HEX and FCC phases could be fit well by an Avrami equation.

Wpływ stopnia polimeryzacji bloku estrowego na strukturę oraz właściwości blokowych terpolimerów estrowo-eterowo-amidowych

“…However, there are still relatively few publications on three-component systems. Introducing the third component into the diblock copolymer macromolecule affects the physical structure of the copolymer and the analysis of such systems is sig-nificantly complicated [47][48][49][50][51]. Therefore, in this work, new three-component TPEs were synthesized, and the physical structure and phase composition of these copolymers were discussed.…”

Multiblock Elastomers TPEAA and TPEEA: Physical Structure and Properties

“…However, there is still relatively few papers on ternary systems. The inclusion of a third component in the diblock copolymer macromolecule significantly affects the physical structure of the polymer [30][31][32][33][34][35][36][37][38]. Depending on the type, molecular weight, and proportion, the third block introduced may be:…”