聚丙烯酰胺/聚乙烯醇共混物相容性及力学性能的微观理论研究  

Micro theoretical study on the compatibility and mechanical properties of polyacrylamide/polyvinyl alcohol blends

作　　者：魏庆华[1] 汪焰恩[1] 杨明明[1,2] 柴卫红[1,2] 张映锋[1] 

机构地区：[1]西北工业大学机电学院,西安710072 [2]西北工业大学现代设计与集成制造技术教育部重点实验室,西安710072

出　　处：《功能材料》2015年第15期15069-15074,共6页Journal of Functional Materials

基　　金：国家自然科学基金资助项目(51175432);教育部高校博士点专项科研基金资助项目(20116102110046);中央高校基础研究基金资助项目(3102014JCS05007);111工程资助项目(B13044);西北工业大学研究生创业种子基金资助项目(Z2014037)

摘　　要：采用分子动力学的理论方法,从微观分子相互作用的层面研究了PAM/PVA共混体系,分别从组分间的相容性、结合能以及对相关函数分析3方面阐述了共混体系间相互作用的机理及本质,通过对组分不同质量配比体系的静态力学分析,研究了组分不同质量配比对体系力学性能的影响。结果表明,PAM与PVA组成的共混物相容性极好,而体系中单组分间的结合能随着PVA含量的增加反而减小,主要原因是质量相同的PAM链所含极性官能团的数目要高于PVA链;此外,对相关函数分析表明,单组分间主要是通过氢键形成相互作用,且共混体系中酰胺基(—NH2)、羰基(—CO)、羟基(—OH)官能团与周围H原子形成氢键的可能性关系为O(-C=O)>O(-OH)>N(-NH2),这也是酰胺基(—NH2)、羰基(—CO)、羟基(—OH)官能团极性强弱关系的反映;单组分不同质量配比模型的静态力学分析表明,随着共混体系中PVA组分含量的增加,体系弹性系数、各项工程模量、柯西压值均呈上升趋势,即PVA含量的增加可以明显改善PAM的力学性能及其延展性。The theoretical method of molecular dynamics was applied to study the PAM / PVA blends at the level of microscopic molecular interaction. The interaction mechanism and nature of PAM / PVA blends are elaborated from the aspects of the compatibility,binding energy and the correlation function analysis,respectively. We have analyzed the static mechanics of system with different quality components,and studied the effects of different quality components on the mechanical properties of system. Results show that the compatibility between PAM and PVA was very good,and the binding energy between the single component of system is decreased with the increase of PVA content,the main reason is that the number of polar functional groups contained in a PAM chain was higher than the same quality PVA chain. In addition,the analysis of the correlation function shows that the single component interacts with each other mainly by hydrogen bonds,and the possibility relationship of the hydrogen bond which formed between the amine groups( —NH2),carbonyl groups( —CO),hydroxyl groups( —OH) and the hydrogen atoms around them was O(- C = O)> O(- OH)> N(- NH2).This was a reflection of the polarity relationship among the amide groups,carbonyl groups and hydroxyl groups. The static mechanical results of models with different component quality ratio show that,with the increase of PVA content,the elastic coefficient,the various engineering modulus and cauchy pressure value are all increased,namely the increase of PVA content can significantly improve the mechanical properties and ductility of PAM.

关 键 词：聚丙烯酰胺 聚乙烯醇 分子动力学 相容性 结合能 对相关函数 力学性能 

分 类 号：TB303[一般工业技术—材料科学与工程] TB332