嵌段共聚物相容剂对聚合物共混体系力学性能影响的连续介观模拟.pdf

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1、物理化学学~E(WuliHuaxueXuebao1DecemberActa．一Chim．Sin．2014，30(12)，2241-22482241[Article]doi：10．3866／PKU．WHXB201410171、^r、^rw．whxb．pku．edu．cn嵌段共聚物相容剂对聚合物共混体系力学性能影响的连续介观模拟邓声威’韩霞’黄永民’徐首红’刘洪来林绍梁(‘华东理工大学，化学工程国家重点实验室，化学系，上海200237；华东理工大学材料科学与工程学院，上海200237)摘要：结合介观动力学方法和

2、三维弹簧格子模型，研究了嵌段共聚物相容剂对相容性较差的聚合物二元共混体系力学性能的影响．在适当范围内不断增加嵌段共聚物相容剂的用量，研究了相容剂含量对体系杨氏模数及拉伸强度的影响，同时也对不同体系材料的破碎位点进行了分析．结果表明，未加入相容剂的二元共混体系在拉伸模拟中表现出较低的拉伸强度，而适量添加相容剂可以显著提升材料的拉伸强度，随着相容剂含量的增加，共混体系的破碎位点会发生转移并最终改善材料的整体性能．而相容剂的加入对体系杨氏模数的影响较小．该连续模拟方法为关联聚合物复合体系的微观结构和宏观力学性能提

3、供了一条高效的途径．关键词：介观动力学：相容剂：弹簧格子模型：拉伸强度：破碎中图分类号：O641SequentialMesoscaleApproachforDeterminingtheEfectsoftheAdditionofaBlockCopolymerCompatibilizerontheMechanicalPropertiesofPolymerBlendsDENGSheng-Wei’HANXia’HUANGYong-Min’XUShou-Hong’LIUHong—Lai’’LINShao—Liang(

4、。StateKeyLaboratoryofChemicalEngineeringandDepartmentofChemistry,EastChinaUniversityofScienceandTechnologyShanghai200237,R．China；SchoolofMaterialsScienceandEngineering,EastChinaUniversityofScienceandTechnology,Shanghai200237,户R．China)Abstract：Thecompatibil

5、izingefectsoftheadditionofablockcopolymeronthemechanicalpropertiesofimmisciblepolymerblendswerestudiedusingacombinedsimulationmethod；thismethodusedMesoDyntodeterminethemorphologyandaprobabilisticIatticespringmodeI(LSM)todeterminethemechanicalproperties．The

6、mechanicaIproperties，includingtheYoung’Smodulus，fensilestrength，andfractureposition，wereanalyzedasafnctionoftheconcentrationoftheadditive．Thesimulationresultsshowedthatthepolymerblendswithoutanycompatibilizerhadpoormechanicalproperties．comparedwiththeorigi

7、nalcomponents。primarilybecauseofthelackofstresstransferacrossthesharpinter『ace．Thetensilestrengthincreaseddramaticallywiththeadditionofthecompatibilizer．Thefracturepositionmovedfr0mtheinterfacefurtherintothematrixwithincreasesinthevolumefractionofthecompat

8、ibilizer,leadingtotheenhancementofthetensilestrength．TheYoung’SmodulusvariedslightlywithincreasesinthecOncentratiOnoftheadditive．ThesestudiesprovideanefficientpathforthecorrelationofthecomplexmOrphO10qiesofpo