MOLECULAR DYNAMICS SIMULATION OF COPOLYMERS

TASK Quarterly

MICHAŁ BANASZAK¹ 

[1] A. Mickiewicz University, Macromolecular Physics Laboratory, Institute of Physics;

关键词: molecular dynamics;    computer simulation;    copolymer;    diblock;    ionic copolymer;    diffusion;   

DOI  :  

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown