摘要
为了研究以D5(十甲基环五硅氧烷)为介质的聚酯染色机理以制定合理的染色工艺,探讨了聚酯(PET)在D5中微观结构的变化。通过构建不同比例聚酯、D5、1-甲基萘共存的分子模型,采用分子动力学模拟溶剂、促进剂、温度对聚酯微观特性参数的影响。结果表明:分子模拟构建的纯PET体系的玻璃化转变温度(Tg)与实验测得的PET的Tg相吻合;加入D5后,PET的Tg明显下降;继续加入1-甲基萘,Tg进一步降低。单纯D5的加入并没有显著改善PET分子链的运动性能,而1-甲基萘与D5共存时,PET分子链运动性能显著提高。D5与1-甲基萘的存在增加了PET的总自由体积。分子模拟聚酯微观结构发现,D5、1-甲基萘有利于提升聚酯上染速率,降低染色温度,改善染色效果。
To study the changes of the microstructure of PET in D5 is helpful to understand the dyeing mechanism of PET with D5 as the medium and make a reasonable dyeing process.In this study,molecular models with different proportions of polyester,D5 and 1-methylnaphthalene coexisted,and the effects of solvents,accelerators and temperatures on the microscopic characteristic parameters of polyester were simulated by molecular dynamics.The glass transition temperature(T_(g))of pure PET system constructed by molecular simulation was in good agreement with the T_(g) of PET measured by experiment.After adding D5,the T_(g) of PET decreased significantly.With the addition of 1-methylnaphthalene,T_(g) decreased further.The addition of D5 alone did not significantly improve the kinematic properties of PET chains,but when 1-methylnaphthalene coexisted with D5,the kinematic properties of PET chains were significantly improved.The presence of D5 and 1-methylnaphthalene increases the total free volume of PET.Molecular simulation of polyester microstructure showed that D5 and 1-methylnaphthalene were beneficial to increase dyeing rate,reduce dyeing temperature and improve dyeing effect.
作者
郑瑾
张琦
宋梦
王冬爽
杨凯
焦明立
ZHENG Jin;ZHANG Qi;SONG Meng;WANG Dongshuang;YANG Kai;JIAO Mingli(School of Textiles,Zhongyuan University of Technology,Zhengzhou 450007,China;Collaborative Innovation Center of Textile and Garment Industry,Zhengzhou 450007,China;Key Laboratory of Functional Textile Materials,Zhengzhou 450007,China;School of Materials and Chemical Engineering,Zhongyuan University of Technology,Zhengzhou 450007,China;School of Clothing,Zhongyuan University of Technology,Zhengzhou 450007,China)
出处
《郑州大学学报（工学版）》
CAS
北大核心
2021年第5期106-110,共5页
Journal of Zhengzhou University（Engineering Science）
基金
国家自然科学基金资助项目(51603236,51973246)
河南省高校科技创新人才支持计划项目(19HASTIT024)
河南省高等学校青年骨干教师培养计划项目(2019GGJS145)。
关键词
聚酯
非水溶剂染色
促进剂
自由体积
polyester
non-aqueous solvent dyeing
accelerant
free volume
作者简介
通信作者:宋梦(1987-),女,河南博爱人,中原工学院副教授,博士,主要从事聚合物分子动力学模拟研究,E-mail:chengsimengyin@126.com。
