Preprint Article Version 1 This version is not peer-reviewed

Rotation Dynamics of Star Block Copolymers under Shear Flow

Version 1 : Received: 22 June 2018 / Approved: 22 June 2018 / Online: 22 June 2018 (15:12:59 CEST)

A peer-reviewed article of this Preprint also exists.

Jaramillo-Cano, D.; Likos, C.N.; Camargo, M. Rotation Dynamics of Star Block Copolymers under Shear Flow. Polymers 2018, 10, 860. Jaramillo-Cano, D.; Likos, C.N.; Camargo, M. Rotation Dynamics of Star Block Copolymers under Shear Flow. Polymers 2018, 10, 860.

Journal reference: Polymers 2018, 10, 860
DOI: 10.3390/polym10080860

Abstract

Star block-copolymers (SBCs) are macromolecules formed by a number of diblock copolymers anchored to a common central core, being the internal monomers solvophilic and the end monomers solvophobic. Recent studies have demonstrated that SBCs constitute a self-assembling building blocks with specific softness, functionalization, shape, and flexibility. Depending on different physical and chemical parameters the SBCs can behave as flexible patchy particles. In this paper, we study the rotational dynamics of isolated SBCs using a hybrid mesoscale simulation technique. We compare three different approaches to analyse the dynamics: the laboratory frame, the non-inertial Eckart's frame, and a geometrical approximation relating the conformation of the SBC to the velocity profile of the solvent. We find that the geometrical approach is adequate when dealing with very soft systems while in the opposite extreme, the dynamics is best explained using the laboratory frame. On the other hand, the Eckart frame is found to be very general and to reproduced well both extreme cases. We also compare the rotational frequency and the kinetic energy with the definitions of the angular momentum and inertia tensor different from recent publications.

Subject Areas

Star block-copolymers; hybrid mesoscale simulation technique; rotational frequency; laboratory frame; Eckart frame; geometrical approach

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