Study of the Molecular Weight Dependence of Glass Transition Temperature for Amorphous Poly(L-Lactide) by Molecular Dynamics Simulation
Molecular dynamics simulation has been used to investigate the molecular weight dependence of glass transition temperature for amorphous poly(L-lactide). Amorphous PLLA systems were created using molecular modeling and NPT ensemble MD simulations were carried out using the modified OPLS-AA force field. The molecular weight dependence of glass transition temperature was studied and the good agreement between the simulation results and experiments was obtained.
KeywordsMolecular Dynamic Simulation Glass Transition Temperature Molecular Weight Dependence Amorphous Poly Kink Position
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