CAJ | 학술논문

含有六元环结构的二聚醇嵌段型聚氨酯具有聚氨酯胶粘剂的优异性能，加入增粘树脂可以进一步提高其粘接性能。其中，2者的相容性是胶粘剂体系获得优异性能的关键问题。本文采用分子动力学模拟法研究了二聚醇嵌段型聚氨酯与单萜的相容性，结果表明，二聚醇嵌段型聚氨酯结构中软段与硬段存在着较为明显的相分离行为，在330K附近最易混合。设计了四种软硬段相对含量不同的二聚醇嵌段型聚氨酯的结构，模拟并分析了4种结构的二聚醇嵌段型聚氨酯与单萜的相容性。结果表明，随软段含量增加，二聚醇嵌段型聚氨酯与单萜相容性增加。根据模拟结果讨论了二聚醇嵌段型聚氨酯与单萜共混体系的Huggins-Flory相互作用参数与温度之间的关系，确定了在最优结构和温度下，体系能够良好互容。单萜的加入，提高了胶粘剂体系综合相容性。
함유륙원배결구적이취순감단형취안지구유취안지효점제적우이성능，가입증점수지가이진일보제고기점접성능。기중，2자적상용성시효점제체계획득우이성능적관건문제。본문채용분자동역학모의법연구료이취순감단형취안지여단첩적상용성，결과표명，이취순감단형취안지결구중연단여경단존재착교위명현적상분리행위，재330K부근최역혼합。설계료사충연경단상대함량불동적이취순감단형취안지적결구，모의병분석료4충결구적이취순감단형취안지여단첩적상용성。결과표명，수연단함량증가，이취순감단형취안지여단첩상용성증가。근거모의결과토론료이취순감단형취안지여단첩공혼체계적Huggins-Flory상호작용삼수여온도지간적관계，학정료재최우결구화온도하，체계능구량호호용。단첩적가입，제고료효점제체계종합상용성。
The polyurethane with dimerdiol blocks and six-membered rings(PDMU) has excellent properties as a kind of adhesive. The tackifying resin may be added to the adhesive system further to improve the adhesion properties. Herein, the compatibility between them is the critical issues to achieve excellent performance for the adhesive system. In this paper, molecular dynamics simulations were used to study the compatibility between polyurethane with dimerdiol blocks and monoterpene.The results showed that there is a obvious phase separation behaviour in PDMU and its soft segments and hard segments can be mostly likely mixed at the vicinity of 330K. Followed by designing the structure of PDMU,the compatibility between four PDMUs with different ratio of soft and hard segments and monoterpenes was compared. The compatibility increased with increasing the soft segment content of PDMU. Finally, the Huggins-Flory parameters of PDMU and monoterpenes blends were calculated, and the relationship between Huggins-Flory parameters and temperature was determined.The system with the most optimal structure at the most suitable temperature presents good compatibility.The loading of monoterpenes,improved the compatibility of adhesive system.