Abstract
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.
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Zhang, J., Yan, J., Uitenham, L., Lou, J. (2009). Study of the Molecular Weight Dependence of Glass Transition Temperature for Amorphous Poly(L-Lactide) by Molecular Dynamics Simulation. In: Nzewi, E., et al. Proceedings of the 2007 National Conference on Environmental Science and Technology. Springer, New York, NY. https://doi.org/10.1007/978-0-387-88483-7_46
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DOI: https://doi.org/10.1007/978-0-387-88483-7_46
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