Molecular and Mesoscopic Dynamics Simulations on the Compatibility of PLA/Plasticizer Blends
Jie Jing
School of Chemistry and Materials Science, Ludong University, Yantai, Shandong 264025, China
Search for more papers by this authorCorresponding Author
Qing'an Qiao
School of Chemistry and Materials Science, Ludong University, Yantai, Shandong 264025, China
School of Chemistry and Materials Science, Ludong University, Yantai, Shandong 264025, China, Tel.: 0086-0535-6672430; Fax: 0086-0535-6672574Search for more papers by this authorYueqing Jin
Library of Ludong University, Yantai, Shandong 264025, China
Search for more papers by this authorCuihua Ma
School of Chemistry and Materials Science, Ludong University, Yantai, Shandong 264025, China
Search for more papers by this authorHonglan Cai
School of Chemistry and Materials Science, Ludong University, Yantai, Shandong 264025, China
Search for more papers by this authorYanfeng Meng
School of Chemistry and Materials Science, Ludong University, Yantai, Shandong 264025, China
Search for more papers by this authorZhengting Cai
Institute of Theoretical Chemistry, Shandong University, Jinan, Shandong 250100, China
Search for more papers by this authorDacheng Feng
Institute of Theoretical Chemistry, Shandong University, Jinan, Shandong 250100, China
Search for more papers by this authorJie Jing
School of Chemistry and Materials Science, Ludong University, Yantai, Shandong 264025, China
Search for more papers by this authorCorresponding Author
Qing'an Qiao
School of Chemistry and Materials Science, Ludong University, Yantai, Shandong 264025, China
School of Chemistry and Materials Science, Ludong University, Yantai, Shandong 264025, China, Tel.: 0086-0535-6672430; Fax: 0086-0535-6672574Search for more papers by this authorYueqing Jin
Library of Ludong University, Yantai, Shandong 264025, China
Search for more papers by this authorCuihua Ma
School of Chemistry and Materials Science, Ludong University, Yantai, Shandong 264025, China
Search for more papers by this authorHonglan Cai
School of Chemistry and Materials Science, Ludong University, Yantai, Shandong 264025, China
Search for more papers by this authorYanfeng Meng
School of Chemistry and Materials Science, Ludong University, Yantai, Shandong 264025, China
Search for more papers by this authorZhengting Cai
Institute of Theoretical Chemistry, Shandong University, Jinan, Shandong 250100, China
Search for more papers by this authorDacheng Feng
Institute of Theoretical Chemistry, Shandong University, Jinan, Shandong 250100, China
Search for more papers by this authorAbstract
The compatibility of the blend systems for olyactic acid (PLA)/tributyl citrate (TBC) and PLA/glycerol has been studied by molecule and mesoscopic dynamics methods. The results from glass transition temperature simulations showed that the compatibility of PLA/TBC system was better than that of PLA/glycerol, which were consistent with the conclusion obtained from the pair correlation functions. Besides, the behaviors of phase state distribution and evolution process were investigated by mesoscopic dynamics method as well. The results indicated that citrate ester was a better plasticizer than glycerol for PLA.
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