TY - JOUR
T1 - Thermal properties of poly(lactic acid) fumed silica nanocomposites
T2 - Experiments and molecular dynamics simulations
AU - Zhang, Jian
AU - Lou, Jianzhong
AU - Ilias, Shamsuddin
AU - Krishnamachari, Parakalan
AU - Yan, Jizhong
PY - 2008/4/29
Y1 - 2008/4/29
N2 - Poly(lactic acid) (PLA) fumed silica nanocomposites were prepared by twin-screw extruder. Thermal properties were investigated by experiments and molecular dynamics simulations. Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) were used and 1.34 °C increase of the glass transition temperature (Tg) and 12 °C improvement of thermal stability were observed for PLA-silica nanocomposites as compared to neat PLA. Molecular dynamics simulations (NPT ensemble) were carried out using modified OPLS-AA force field, and Tg and root-mean-square radii of gyration (Rg) were calculated. A good agreement between the simulation results and experiments was obtained.
AB - Poly(lactic acid) (PLA) fumed silica nanocomposites were prepared by twin-screw extruder. Thermal properties were investigated by experiments and molecular dynamics simulations. Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) were used and 1.34 °C increase of the glass transition temperature (Tg) and 12 °C improvement of thermal stability were observed for PLA-silica nanocomposites as compared to neat PLA. Molecular dynamics simulations (NPT ensemble) were carried out using modified OPLS-AA force field, and Tg and root-mean-square radii of gyration (Rg) were calculated. A good agreement between the simulation results and experiments was obtained.
KW - Biodegradable polymers
KW - Molecular simulation
KW - Nanocomposites
UR - https://www.scopus.com/pages/publications/42049116940
U2 - 10.1016/j.polymer.2008.02.048
DO - 10.1016/j.polymer.2008.02.048
M3 - Article
SN - 0032-3861
VL - 49
SP - 2381
EP - 2386
JO - Polymer
JF - Polymer
IS - 9
ER -