Study of the Molecular Weight Dependence of Glass Transition Temperature for Amorphous Poly(L-Lactide) by Molecular Dynamics Simulation

  • Jian Zhang
  • Jizhong Yan
  • Leonard Uitenham
  • Jianzhong Lou
Conference paper


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 molecular weight dependence of glass transition temperature was studied and the good agreement between the simulation results and experiments was obtained.


Molecular Dynamic Simulation Glass Transition Temperature Molecular Weight Dependence Amorphous Poly Kink Position 
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Copyright information

© Springer Science+Business Media, LLC 2009

Authors and Affiliations

  • Jian Zhang
    • 1
  • Jizhong Yan
    • 1
  • Leonard Uitenham
    • 2
  • Jianzhong Lou
    • 3
  1. 1.North Carolina A&T State UniversityGreensboroUSA
  2. 2.North Carolina A&T ST.U.GreensboroUSA
  3. 3.Department of Chemical Engineering, North Carolina A&T State UniversityGreensboroUSA

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