Molecular modeling study of the resistance of PLA to hydrolysis based on the blending of PLLA and PDLA

David Karst, Yiqi Yang

Research output: Contribution to journalArticlepeer-review

64 Scopus citations

Abstract

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 change in potential energy for hydrolysis decreases linearly with increasing % PLLA or % PDLA from 0 to 50%.

Original languageEnglish (US)
Pages (from-to)4845-4850
Number of pages6
JournalPolymer
Volume47
Issue number13
DOIs
StatePublished - Jun 14 2006

Keywords

  • Degradation
  • Hydrolysis
  • Polylactic acid

ASJC Scopus subject areas

  • Organic Chemistry
  • Polymers and Plastics
  • Materials Chemistry

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