结合分子动力学验证PBS基共聚物和淀粉复合材料之间的相互作用  

Verifying the Interactions between PBS-based Copolymers and Starch Composite Materials by Molecular Dynamics

作　　者：苗妮娜 张敏[1] 许小玲[1] 王蕾[1] 邱建辉 

机构地区：[1]陕西科技大学教育部轻化工助剂化学与技术重点实验室,西安710021 [2]日本秋田县立大学

出　　处：《高分子学报》2016年第4期511-519,共9页Acta Polymerica Sinica

基　　金：陕西省自然科学基础研究计划项目(项目号2015JM2069);"十二五"国家高技术研究发展计划(863计划;项目号2011AA100503)资助

摘　　要：将聚乙二醇200(PEG200)或聚乙二醇400(PEG400)作为第四种单体分别和丁二酸(SA)、丁二醇(BDO)、乙二醇(EG)熔融共聚得到不同醚链长度的PEG200-PBES、PEG400-PBES共聚酯,再与改性的热塑性淀粉(TPS)共混,采用溶液混合方法,制备出固体复合材料,并且研究了引入不同醚链长度对复合材料各种性能的影响;结合分子动力学(MD)模拟分析了不同醚链长度(PEG-PBES)/TPS复合体系分子之间的相互作用.研究结果表明,随着醚链的增长,复合材料的相容性显著增加,(PEG400-PBES)/TPS复合体系的χ参数和Emix值更接近于0,内聚能密度及溶度参数值大于(PEG200-PBES)/TPS和PBS/TPS复合体系的相应值,说明PEG400-PBES与TPS有更好的相容性.同时,随着醚链的增长,复合材料拉伸强度由原来的1.86 MPa提高到8.84 MPa,断裂伸长率由25.54%提高到74.75%,热失重50%时的温度由281.68℃提高到310.53℃.The polyethylene glycol 200 （PEG200） and polyethylene glycol 400 （PEG400） as the fourth monomers were introduced into succinic acid （SA） , 1,4-butanediol （BDO） , ethylene glycol （EG）. PEG200- PBES and PEG400-PBES copolyesters with different lengths of ether chains were synthesized by melt copolymerization,then solid composite materials were prepared by solution blending copolyesters with modified thermoplastic starch （TPS）. The effects of different ether chain lengths on mechanical properties and thermal stability of composite materials were studied,the interactions between PBS, PEG-PBES and TPS in composite systems of different ether chain length were analyzed by adopting molecular dynamics. The results showed that the compatibility of composite systems increased significantly with the increase of ether chain length, the X parameter and Emix values of （PEG400-PBES）/TPS composite systems were more close to 0, its cohesive energy density and solubility parameter were greater than those of PBS/TPS and （PEG200-PBES）/TPS composite systems. Therefore, （PEG400-PBES）/TPS composite system has better compatibility. Meanwhile, with the growth of ether chain length,the tensile strength of composite materials was increased from 1.86 MPa to 8.84 MPa and elongation at break was improved from 25.54% to 74.75%. In addition,the temperature of thermo-gravimetric 50% weight loss was increasedfrom 281.68 ℃ to 310.53 ℃.

关 键 词：PBS基共聚物 不同醚链长度 改性淀粉 分子间相互作用 分子动力学 

分 类 号：O631[理学—高分子化学] TB332[理学—化学]