Molecular Dynamics Simulations of Poly-ether-sulfone

摘要

Molecular dynamics (MD) is becoming a popular and useful tool for exploring, via simulation, the structure and properties of amorphous polymers. Our previous study on local chain dynamics of poly-ether-sulfone (PES) using Nuclear Magnetic Resonance technique had shown that PES contains flexible chains as well as PES-C (Phenolphthalein polyethersulfone), PPO (poly-phenylene-oxide) and PEI (poly-ether-imide), which to some extent, is contrary to the high performance of them. So, the isolated chain properties of these kinds of polymers were under considerations.