Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5185783 | Polymer | 2007 | 6 Pages |
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 fractal dimension of the PLA systems was 1.62. The molecular weight dependence of glass transition temperature, self-diffusion coefficient and shear viscosity were studied and the good agreement between the simulation results and experiments was obtained.
Related Topics
Physical Sciences and Engineering
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Authors
Jian Zhang, Yu Liang, Jizhong Yan, Jianzhong Lou,