聚氨酯上浆剂与玻璃纤维界面结合分子动力学研究  

A study on molecular dynamics of the interfacial bond between polyurethanesizing agents and glass fibers

作　　者：宋嘉祁 汪峰 王矿 卓炎 孙壮壮 付一政[3] 朱博 SONG Jiaqi;WANG Feng;WANG Kuang;ZHUO Yan;SUN Zhuangzhuang;FU Yizheng;ZHU Bo(College of Textile Science and Engineering,Jiangnan University,Wuxi 214122,China;Zhejiang Daoyi New Materials Co.,Ltd.,Lishui 323000,China;College of Materials Science and Engineering,North University of China,Taiyuan 030051,China)

机构地区：[1]江南大学纺织科学与工程学院,江苏无锡214122 [2]浙江道易新材料有限公司,浙江丽水323000 [3]中北大学材料科学与工程学院,太原030051

出　　处：《丝绸》2024年第8期43-49,共7页Journal of Silk

基　　金：江苏省自然科学基金项目(20200608)。

摘　　要：上浆剂可以有效提高玻璃纤维的织造效率。文章选择阴离子水性聚氨酯作为上浆剂对玻璃纤维进行上浆,采用分子动力学模拟方法,从分子尺度解析聚氨酯/玻璃纤维界面作用机制。研究了三种常见硅烷偶联剂对聚氨酯/玻璃纤维界面的影响,并通过玻璃纤维力学性能实验进行了验证。模拟研究结果表明:界面中硅烷偶联剂能够提升聚氨酯上浆剂在玻璃纤维表面的界面结合能力,其中AWPU/KH570/GF模型的平均界面结合能最大(-191.488 kcal/mol),说明在KH570作用下,聚氨酯分子更容易与玻璃纤维表面形成优良的结合界面。实验结果表明:相较于其他两种硅烷偶联剂,KH570对提高聚氨酯上浆剂和玻璃纤维的界面结合性最佳,实验结果与模拟结论相符;通过单因素实验发现当AWPU质量分数为20%、KH570质量分数为4%时,玻璃纤维浆纱断裂强力和耐磨性能分别升高了5.6%和14.7%,并且集束性能最好。界面中硅烷偶联剂KH570显著增加了聚氨酯上浆剂/玻璃纤维的结合性能。Glass fibers are widely used in reinforcement materials,insulation materials,building materials and other fields because of their advantages of light weight,high strength and corrosion resistance.However,glass fibers are easy to wear and break during the weaving process,which brings challenges to their practical production and application.Polyurethane can form a protective film on the surface of glass fiber due to its excellent elasticity,flexibility and wear resistance,which can improve its mechanical properties and wear resistance.The adhesion between glass fibers and polyurethane can be further improved by using suitable silane coupling agent.The interfacial bonding mechanism of anionic waterborne polyurethane(AWPU)and glass fibers(GFs)was investigated by molecular dynamics simulation and experimental verification.The effects of three common silane coupling agents on the interface bonding properties of polyurethane/glass fibers were studied,and the best sizing agent combination was selected to improve the overall properties of glass fibers.In this study,AWPU was selected as the sizing agent,and the molecular mechanism of AWPU/GF interface was analyzed by molecular dynamics simulation method.Three common silane coupling agents(KH550,KH560 and KH570)were selected to simulate their performance in interface bonding,and experiments were designed to verify the simulation results.In the experiment,the mechanical properties of glass fibers under different coupling agent combinations were tested,including breaking strength and wear resistance.The simulation results showed that the three silane coupling agents could improve the interface binding ability of polyurethane slurry on the glass fiber surface,and the average interface binding energy of AWPU/KH570/GF model was the highest(-191.488 kcal/mol).The experimental results are consistent with the simulation results,indicating that KH570 can improve the interface bonding property between polyurethane sizing agents and glass fibers to the greatest extent.In the single fa

关 键 词：玻璃纤维 聚氨酯 硅烷偶联剂 上浆剂 分子动力学 界面结合能 

分 类 号：TQ171.77[化学工程—玻璃工业]