Title:

MOLECULAR DYNAMICS SIMULATIONS OF IONIC COPOLYMERS

Creator:

Banaszak Michał

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.

Place of publishing:

Poznań

Publisher:

OWN

Resource Type:

artykuł

Format:

application/pdf

Language:

eng