采用聚乙二醇(PEG)改性的聚丁二酸丁二醇酯(PEG/PBS)分别与改性纤维素羧甲基纤维素(CMC)和羟乙基纤维素(HEC)共混制备了在水相均匀分散的聚酯/纤维素新型液体复合材料,并结合分子模拟技术对液体复合材料间的相互作用机制进行了研究.结果表明:1 H-NMR证明了PEG/PBS共聚物具有预期的化学结构;分子动力学模拟表明PBS呈现螺旋结构,PEG的引入改变了其结构的规整性,且有效提高了共聚物分子链的极性和柔顺性,改善了其与纤维素衍生物的相容性.复合材料的能量分布结果表明PEG/PBS中醚、酯基官能团与纤维素衍生物中的羟基官能团之间存在较强的氢键作用和范德华力.FTIR谱图中官能团(如—OH、OCO—、—COOH、—C—O—C等)吸收峰频率的偏移、SEM照片中表界面形态的变化、EDS能谱中C和O元素的含量变化等表明PBS及其醚化PEG/PBS与CMC的官能团之间发生了相互作用,且醚化改性后相互作用增强,复合材料的透过率由50％提高到70％以上,热稳定性和柔韧性均提高,验证了分子模拟的结果.
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