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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