MOLECULAR DYNAMICS SIMULATION OF COPOLYMERS

A series of representative Molecular Dynamics simulations of model Lennard-Jones copolymer chains is presented. We report measurements of thermodynamic, structural and dynamic properties of our model copolymers. For neutral copolymers we confirm our version of Thermodynamic Perturbation Theory of t...

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Bibliographic Details
Main Author: MICHAŁ BANASZAK
Format: Article
Language:English
Published: Gdańsk University of Technology 2001-01-01
Series:TASK Quarterly
Subjects:
Online Access:https://journal.mostwiedzy.pl/TASKQuarterly/article/view/2308
Description
Summary:A series of representative Molecular Dynamics simulations of model Lennard-Jones copolymer chains is presented. We report measurements of thermodynamic, structural and dynamic properties of our model copolymers. For neutral copolymers we confirm our version of Thermodynamic Perturbation Theory of the First Order, while for ionic copolymers we demonstrate microphase formation and the anisotropy of the counterion diffusion.
ISSN:1428-6394