Analysis of the cluster formation in two-component cylindrical bottle-brush polymers under poor solvent conditions. A simulation study

Two-component bottle-brush polymers, where flexible side chains containing N = 20, 35 and 50 effective monomers are grafted alternatingly to a rigid backbone, are studied by Molecular Dynamics simulations, varying the grafting density \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$ \sigma$\end{document} and the solvent quality. Whereas for poor solvents and large enough \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$ \sigma$\end{document} the molecular brush is a cylindrical object with monomers of different type occupying locally the two different halves of the cylinder, for intermediate values of \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$ \sigma$\end{document} an axially inhomogeneous structure of “pearl-necklace” type is formed, where microphase separation between monomers of different type within a cluster takes place. These “pearls” have a strongly non-spherical ellipsoidal shape, due to the fact that several side chains cluster together in one “pearl”. We discuss the resulting structures in detail and we present a comparison with the single-component bottle-brush case.