Polymer, Vol.47, No.13, 4845-4850, 2006
Molecular modeling study of the resistance of PLA to hydrolysis based on the blending of PLLA and PDLA
Molecular modeling has been used to explain how the blending of poly(L-lactide) (PLLA) and poly(D-lactide) (PDLA) affects the resistance of poly(lactide) (PLA) to hydrolysis. Amorphous PLLA/PDLA blends were created using molecular modeling, and the minimum potential energy of the blends before and after hydrolysis were obtained. The 50/50 blend has the greatest resistance to hydrolysis. which agrees with past experiments and is due to its having stronger hydrogen-bonding and dipole-dipole interactions than pure PLLA or PDLA. This is based on the 50/50 blend having more of these interactions and shorter average lengths for the hydrogen-bonds and dipole-dipole interactions compared to pure PLLA and PDLA. Hydrogen-bonding possibly has a greater effect than the dipole-dipole interactions on the resistance to hydrolysis. The chance in potential energy for hydrolysis decreases linearly with increasing % PLLA or % PDLA from 0 to 50%. (c) 2006 Elsevier Ltd. All rights reserved.