October 28, 2021

Hosein Eslami

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Faculty: Faculty of Nano and Biotechnology

Research

Title Nanoconfined polymers: modelling and simulation approaches
Type Article
Keywords
Journal MOLECULAR SIMULATION
DOI
Researchers Hosein Eslami (First researcher) ,

Abstract

In this article, application of molecular simulation methods for studying molecular pictures of nanoconfined polymers is reviewed and discussed. The simulation methods, covering a range from atomistic to systematically parameterised coarsegrained models, employed in the literature to study nanoconfined polymers are reviewed and their results are compared together. The effect of polymer–surface interactions, surface curvature and surface area on the alteration of polymer structure and dynamics from the unperturbed (bulk) polymer properties are discussed. The length scales over which the surface influences the polymer structure and dynamics and the magnitude of surface effect on dynamics deceleration in the interphase are addressed in terms of different local and global chain properties.