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

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

Research output: Chapter in Book/Report/Conference proceeding › Chapter

Abstract

Molecular dynamics simulation has been used to investigate the molecular weight dependence of glass transition temperature for amorphous poly(Llactide). Amorphous PLLA systems were created using molecular modeling and NPT ensembleMDsimulations 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.

Original language	English
Title of host publication	Proceedings of the 2007 National Conference on Environmental Science and Technology
Publisher	Springer New York
Pages	339-344
State	Published - 2009

Cite this

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

abstract = "Molecular dynamics simulation has been used to investigate the molecular weight dependence of glass transition temperature for amorphous poly(Llactide). Amorphous PLLA systems were created using molecular modeling and NPT ensembleMDsimulations 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.",

author = "Jian Zhang and Jizhong Yan and Leonard Uitenham and Jianzhong Lou",

year = "2009",

language = "English",

pages = "339--344",

booktitle = "Proceedings of the 2007 National Conference on Environmental Science and Technology",

publisher = "Springer New York",

}

Study of the Molecular Weight Dependence of Glass Transition Temperature for Amorphous Poly(L-Lactide) by Molecular Dynamics Simulation. / Zhang, Jian; Yan, Jizhong; Uitenham, Leonard et al.
Proceedings of the 2007 National Conference on Environmental Science and Technology. Springer New York, 2009. p. 339-344.

Research output: Chapter in Book/Report/Conference proceeding › Chapter

TY - CHAP

T1 - Study of the Molecular Weight Dependence of Glass Transition Temperature for Amorphous Poly(L-Lactide) by Molecular Dynamics Simulation

AU - Zhang, Jian

AU - Yan, Jizhong

AU - Uitenham, Leonard

AU - Lou, Jianzhong

PY - 2009

Y1 - 2009

N2 - Molecular dynamics simulation has been used to investigate the molecular weight dependence of glass transition temperature for amorphous poly(Llactide). Amorphous PLLA systems were created using molecular modeling and NPT ensembleMDsimulations 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.

AB - Molecular dynamics simulation has been used to investigate the molecular weight dependence of glass transition temperature for amorphous poly(Llactide). Amorphous PLLA systems were created using molecular modeling and NPT ensembleMDsimulations 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.

M3 - Chapter

SP - 339

EP - 344

BT - Proceedings of the 2007 National Conference on Environmental Science and Technology

PB - Springer New York

ER -