Self-Consistent Field Theory Simulations of Wormlike Chains on Cylindrical Surface

Self-Consistent Field Theory Simulations of Wormlike Chains on Cylindrical Surface

Year:    2019

Author:    Qin Liang, Lu Chen, Hui Zhang, Dongliang Zhang

International Journal of Numerical Analysis and Modeling, Vol. 16 (2019), Iss. 2 : pp. 357–374

Abstract

Experimental investigation has shown that semiflexible polymers can wrap orderly around a cylinder. Recent Monte Carlo simulations also show that semiflexible polymers can develop linear or helical or random phase structures, depending on the rigidity or length of the polymer. Here, we use wormlike chain model and self-consistent field theory with Onsager interaction to study the micro-phase structure of polymers with local rigidity. We first give the modified diffusion equation for a wormlike chain on cylindrical surface, and then solve the equilibrium equations of the self-consistent field. A time splitting scheme is developed to solve the modified diffusion equation. However, only two kinds of nematic structures (N1 and N2) are detected in our simulation. In N1, the polymers are mainly oriented perpendicular to the axis of the cylinder; while in N2, the polymers are mainly oriented parallel to the axis of the cylinder. N1 is a metastable structure with free energy higher than N2.

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Journal Article Details

Publisher Name:    Global Science Press

Language:    English

DOI:    https://doi.org/2019-IJNAM-12808

International Journal of Numerical Analysis and Modeling, Vol. 16 (2019), Iss. 2 : pp. 357–374

Published online:    2019-01

AMS Subject Headings:    Global Science Press

Copyright:    COPYRIGHT: © Global Science Press

Pages:    18

Keywords:    wormlike chain model modified diffusion equation self-consistent field theory cylindrical surface micro-phase structure.

Author Details

Qin Liang

Lu Chen

Hui Zhang

Dongliang Zhang