@Article{IJNAM-16-357, author = {Liang , QinChen , LuZhang , Hui and Zhang , Dongliang}, title = {Self-Consistent Field Theory Simulations of Wormlike Chains on Cylindrical Surface}, journal = {International Journal of Numerical Analysis and Modeling}, year = {2018}, volume = {16}, number = {2}, pages = {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.

}, issn = {2617-8710}, doi = {https://doi.org/}, url = {http://global-sci.org/intro/article_detail/ijnam/12808.html} }