论文部分内容阅读
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。
Polyethylene glycol (PEG) -modified polybutylene succinate (PEG / PBS) was blended with modified cellulose carboxymethylcellulose (CMC) and hydroxyethylcellulose (HEC) The new liquid / polyester composites dispersed in water phase were studied. The interaction mechanism of liquid composites was also studied by molecular simulation. The results showed that 1 H-NMR showed the expected chemical structure of PEG / PBS copolymer. Molecular dynamics simulation showed that the structure of PBS was helix structure. The introduction of PEG changed the structure regularity and improved the molecular chain of copolymer Polarity and suppleness improve its compatibility with cellulose derivatives. The energy distribution of the composite shows that there is strong hydrogen bonding and van der Waals forces between the ether and ester functional groups in PEG / PBS and the hydroxyl functional groups in the cellulose derivatives. Shifts in the absorption peak frequencies of functional groups (such as -OH, -OCO -, - COOH, -C-O-C-, etc.) in the FTIR spectrum, changes in the surface morphology of the SEM in the SEM image, changes in the C and O elements in the EDS spectrum The results showed that the interactions between PBS and its ether PEG / PBS and the functional groups of CMC were enhanced, and the interaction between the functional groups of CMC and PEG was enhanced. The transmittance of the composite increased from 50% to over 70% Both stability and flexibility are improved, confirming the result of molecular simulation.