Quantum Physics Division
Faculty of PhysicsAdam Mickiewicz University

Molecular dynamics simulation of copolymers

M. Banaszak

1 Macromolecular Physics Laboratory, Institute of Physics, A. Mickiewicz University, ulica Umultowska 85, 61-614 Poznan, Poland

TASK Quaterly, 5, 17-27 (2001)


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.


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