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Molecular and Mesoscopic Dynamics Simulations on the Compatibility of PLA/Plasticizer Blends
Author(s) -
Jing Jie,
Qiao Qing'an,
Jin Yueqing,
Ma Cuihua,
Cai Honglan,
Meng Yanfeng,
Cai Zhengting,
Feng Dacheng
Publication year - 2012
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.201180454
Subject(s) - plasticizer , mesoscopic physics , compatibility (geochemistry) , glycerol , chemistry , molecular dynamics , chemical engineering , glass transition , organic chemistry , computational chemistry , polymer , physics , quantum mechanics , engineering
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.