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Polymers 2018, 10(8), 860; https://doi.org/10.3390/polym10080860

Rotation Dynamics of Star Block Copolymers under Shear Flow

1
Faculty of Physics, University of Vienna, Boltzmanngasse 5, 1090 Vienna, Austria
2
CICBA, Universidad Antonio Nariño—Campus Farallones, Km 18 vía Cali-Jamundí, Cali 760030, Colombia
*
Author to whom correspondence should be addressed.
Received: 22 June 2018 / Revised: 31 July 2018 / Accepted: 31 July 2018 / Published: 3 August 2018
(This article belongs to the Special Issue Polymer Dynamics)
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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 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 analyze 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 from recent publications. View Full-Text
Keywords: star block-copolymers; hybrid mesoscale simulation technique; rotational frequency; laboratory frame; Eckart frame; geometrical approach star block-copolymers; hybrid mesoscale simulation technique; rotational frequency; laboratory frame; Eckart frame; geometrical approach
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Jaramillo-Cano, D.; Likos, C.N.; Camargo, M. Rotation Dynamics of Star Block Copolymers under Shear Flow. Polymers 2018, 10, 860.

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