Molecular dynamics simulations studies are carried out on hydroxyl terminated polyethers
that are useful in energetic polymeric binder applications. Energetic polymers derived from
oxetanes with heterocyclic side chains with different energetic substituents are designed
and simulated under the ensembles of constant particle number, pressure, temperature
(NPT) and constant particle number, volume, temperature (NVT). Specific volume of different
amorphous polymeric models is predicted using NPT-MD simulations as a function of …