Molecular and Mesoscopic Dynamics Simulations on the Compatibility of PLA/Plasticizer Blends

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/g...

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Published inChinese journal of chemistry Vol. 30; no. 1; pp. 133 - 138
Main Author 荆杰 乔青安 靳月庆 马翠花 蔡红兰 蒙延峰 蔡政亭 冯大成
Format Journal Article
LanguageEnglish
Published Weinheim WILEY-VCH Verlag 2012
WILEY‐VCH Verlag
Wiley Subscription Services, Inc
Subjects
compatibility
glass transition temperature
Glycerol
mesoscopic dynamics simulation
polyactic acid
Transition temperatures
介观
共混物
分子
动力学模拟
增塑剂
相容性
系统兼容性
聚乳酸
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ISSN1001-604X
1614-7065
DOI10.1002/cjoc.201180454

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Summary: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.
Bibliography:31-1547/O6
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.
polyactic acid, compatibility, glass transition temperature, mesoscopic dynamics simulation
Jing, Jie, Qiao, Qing＇an, Jin, Yueqing,Ma, Cuihua, Cai, Honglan,Meng, Yanfeng, Cai, Zhengting,Feng, Dache ng（a School of Chemistry and Materials Science, Ludong University, Yantai, Shandong 264025, China h Library of Ludong University, Yantai, Shandong 264025, China e Institute of Theoretical Chemistry, Shandong University, Jinan, Shandong 250100, China）
ArticleID:CJOC201180454
ark:/67375/WNG-TZS57MPV-R
the National Natural Science Foundation of China - No. 20603030, 10674114
istex:86145243BD49681AB53525B24D49252602E0A251
973 Project of the Ministry of Science and Technology of China - No. 2009CB930103
the Shandong Provincial Natural Science Foundation of China - No. Q2008B07, Q2010BL023
ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 14
ISSN:1001-604X
1614-7065
DOI:10.1002/cjoc.201180454