首页|自愈合聚氨酯弹性体的制备、性能及氢键交换机理

自愈合聚氨酯弹性体的制备、性能及氢键交换机理

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用端氨基硅氧烷(ATPS)、2,5-二甲基-2,5-己二醇(DMHDO)、异佛尔酮二异氰酸酯(IPDI)和端羟基聚丁二烯(HTPB)合成了基于氢键交换的本征型自愈合聚氨酯.n(IPDI)∶n(HTPB)∶n(ATPS)∶n(DMHDO)为 1.8∶1∶0.8∶0 的样品(P5)在室温(25 ℃)下自愈合效率达 70%;n(IPDI)∶n(HTPB)∶n(ATPS)∶n(DMHDO)为 1.8∶1∶0.6∶0.2 的样品(P4)在 50 ℃ 下自愈合效率达90%.硅氧烷的引入减少了空间位阻作用,利于氢键交换,使其可以在25 ℃下自愈合.利用分子动力学模拟探究自愈合过程中的主导氢键类型,扩链剂为受阻醇时的样品(P1),主导氢键是硬段末端氨酯键(TYPE-1)和受阻醇氨酯键(TYPE-4)所形成的氢键;两种扩链剂等比例混合的样品(P3),主导氢键有三种,分别为TYPE-1、ATPS脲键(TYPE-2)、TYPE-4氢键.扩链剂为硅氧烷的样品(P5),主导氢键是TYPE-1 氢键.
Preparation,properties and hydrogen bond exchange mechanism of self-healing polyurethane elastomers
Intrinsic self-healing polyurethane based on hydrogen bond exchange is synthesized with amino-terminated siloxane(ATPS),2,5-dimethyl-2,5-hexanediol(DMHDO),isophorone diisocyanate(IPDI),and hydroxyl-terminated polybutadiene(HTPB).The sample with IPDI∶HTPB∶ATPS∶DMHDO of 1.8∶1∶0.8∶0(P5)achieved a self-healing efficiency of 70%at room temperature;the sample of IPDI∶HTPB∶ATPS∶DMHDO of 1.8∶1∶0.6∶0.2(P4)self-healing efficiency of 90%at 50 ℃.The addition of siloxane reduces steric hindrance and facilitates hydrogen bond exchange.Molecular dynamics simulation was used to explore the dominant hydrogen bond type in the self-healing process.The dominant hydrogen bond of the chain extender is hindered alcohol(P1)which is formed by the urethane bond at the end of the hard segment and the hindered alcohol urethane bond;The chain extender is siloxane(P5)which is formed by the urethane bond at the end of the hard segment.The two chain extenders mixed in equal proportions(P3)has three types dominant hydrogen bonds,which are composed of hard segment end urethane bonds,hindered alcohol urethane bonds and ATPS urea bonds.

polyurethaneself-healinghydrogen bondingmolecular dynamics simulation

谢高长、李佳萱、陈嘉梁、余旺旺、罗艳龙

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南京工业职业技术大学体育部,江苏南京 210023

南京林业大学理学院,江苏南京 210037

南京工业职业技术大学机械工程学院,江苏南京 210023

聚氨酯 自愈合 氢键 分子动力学模拟

国家自然科学基金项目江苏省高校自然基金重大项目江苏省大学生身体素养发展特征及提升策略研究项目

5190312222KJA4300122023SJYB0548

2024

弹性体
中国石油天然气股份有限公司吉林石化公司 全国合成橡胶信息总站

弹性体

CSTPCD
影响因子:0.463
ISSN:1005-3174
年,卷(期):2024.34(2)