Prediction of the variation of PGA strength during hydrolysis by a combination of empirical equation, density functional theory calculation, and molecular dynamics simulation
The strength variation of polyglycolic acid (PGA) during the hydrolysis process was predicted by the Flory-Fox model with all required parameters obtained by the theoretical approach. The density functional theory (DFT) calculation with the simple transition theory was used to derive the degradation...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2014-07-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4884195 |