A Monte Carlo simulation study of the effect of chain length on the hydrolysis of poly(lactic acid)

作者：Lin, Zhuo-li; Luo, Jun; Chen, Zheng-jian; Yi, Jun; Jiang, Hong-liang; Tu, Ke-hua; Wang, Li-qun^*

来源：Chinese Journal of Polymer Science, 2013, 31(11): 1554-1562.

DOI：10.1007/s10118-013-1353-1

• Monte Carlo
• Simulation
• Chain length
• Poly(lactic acid)
• Hydrolysis
• Molecular weight distribution

The intrinsic relationship between molecular chain length and the probability of chain reaction during poly(lactic acid) (PLA) hydrolysis was investigated by Monte Carlo simulation. The chain reaction rate was calculated by introducing a power function of different molecular chain lengths. The hydrolysis of both amorphous and extended-chain crystal PLA was selected as the model system. It is found that, the chain reaction probability was proportional to the chain length with a power of 0.4 for amorphous PLA and 0.7-1 for extended-chain crystal PLA, respectively. These results indicate that PLA with longer chain length usually exhibits larger reaction rate than that with shorter length. Comparing the hydrolysis of the two kinds of PLA, the competition between longer and shorter chains in the different condensed structures is different.

• 出版日期2013-11
• 单位浙江大学