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

David Karst; Yiqi Yang

doi:10.1016/j.polymer.2006.05.002

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

David Karst, Yiqi Yang

Textiles, Merchandising, and Fashion Design

Research output: Contribution to journal › Article › peer-review

79 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 language	English (US)
Pages (from-to)	4845-4850
Number of pages	6
Journal	Polymer
Volume	47
Issue number	13
DOIs	https://doi.org/10.1016/j.polymer.2006.05.002
State	Published - Jun 14 2006

Keywords

Degradation
Hydrolysis
Polylactic acid

ASJC Scopus subject areas

Organic Chemistry
Polymers and Plastics
Materials Chemistry

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10.1016/j.polymer.2006.05.002

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title = "Molecular modeling study of the resistance of PLA to hydrolysis based on the blending of PLLA and PDLA",

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%.",

keywords = "Degradation, Hydrolysis, Polylactic acid",

author = "David Karst and Yiqi Yang",

note = "Funding Information: The authors are indebted to financial support from the University of Nebraska Agricultural Research Division and support through the Hatch Act. The authors also wish to thank Dr Joan Laughlin for the Laughlin fellowship for D. Karst. This work was completed utilizing the Research Computing Facility of the University of Nebraska-Lincoln. ",

year = "2006",

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doi = "10.1016/j.polymer.2006.05.002",

language = "English (US)",

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AU - Karst, David

AU - Yang, Yiqi

N1 - Funding Information: The authors are indebted to financial support from the University of Nebraska Agricultural Research Division and support through the Hatch Act. The authors also wish to thank Dr Joan Laughlin for the Laughlin fellowship for D. Karst. This work was completed utilizing the Research Computing Facility of the University of Nebraska-Lincoln.

PY - 2006/6/14

Y1 - 2006/6/14

N2 - 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%.

AB - 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%.

KW - Degradation

KW - Hydrolysis

KW - Polylactic acid

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

Abstract

Keywords

ASJC Scopus subject areas

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