Nanostructure of the Interface Modified by Grafted Polymers: A Monte Carlo Simulation
Author: Vao-soongnern, Visit
Source: Journal of Nanoscience and Nanotechnology, Volume 6, Number 12, December 2006 , pp. 3977-3980(4)
Publisher: American Scientific Publishers
Abstract:The thermodynamic, conformational and orientational properties of polymer melts grafted on a solid substrate were obtained from a novel Monte Carlo (MC) simulation of coarse-grained model of polyethylene (PE). The interface between a non-interacting hard surface and a bulk PE melt, with all chains of which are grafted on the plane, has been studied. Different PE melts, of mean molecular length from C40 and C80, have been investigated, at grafting densities ranging from 0.92 to 1.85 nm.2 Profiles of monomer density and free end density, bond orientation, and average monomer position along a chain were studied. Quantitative measured in the simulations are derived from the analytical self-consistent field (SCF) theory and compared with the simulation data. The conformational and orientational properties can be quite accurately described by the theory, with some discrepancies observed near the wall and at the tail of the profile. Additional results concerning thermodynamic and surface energy of the brush are also presented.
Document Type: Research article
Publication date: 2006-12-01
- Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
- Editorial Board
- Information for Authors
- Subscribe to this Title
- Terms & Conditions
- ingentaconnect is not responsible for the content or availability of external websites