期刊
POLYMER
卷 48, 期 16, 页码 4900-4905出版社
ELSEVIER SCI LTD
DOI: 10.1016/j.polymer.2007.06.030
关键词
molecular dynamics simulation; poly(L-lactide); glass transition temperature
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. Published by Elsevier Ltd.
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