GET_pdf delibra

Volume 6 (1) 2000, 15-24

MOLECULAR DYNAMICS SIMULATIONS OF IONIC COPOLYMERS

Banaszak Michał

Macromolecular Physics Laboratory
Institute of Physics, Adam Mickiewicz University
ul. Umultowska 85, 61-614 Poznań, Poland

DOI:   10.12921/cmst.2000.06.01.15-24

OAI:   oai:lib.psnc.pl:506

Abstract:

Molecular Dynamics (MD) studies of ionic diblock copolymers are reported. The symmetrical
diblocks are shown to exhibit a microphase separation transition (MST) similar to that of neutral diblocks. The MST was investigated by measuring thermodynamic, structural and dynamic properties: density, simulation box dimensions, structure factor, anisotropy in structure factor and directional diffusion constants. The slow cooling of the system from a high-temperature disordered phase to low-temperature ordered microphase separated phase was achieved in both temperature controlled (‘NVT’) MD, and temperature and pressure
controlled (‘NPT’) MD.

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