| 含水量对PAM/PVA互穿网络水凝胶性能的影响 |
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| 引用本文： | 魏庆华,汪焰恩,杨明明,柴卫红,张映锋.含水量对PAM/PVA互穿网络水凝胶性能的影响[J].计算物理,2015,32(5):572-578. |
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| 作者姓名： | 魏庆华 汪焰恩 杨明明 柴卫红 张映锋 |
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| 作者单位： | 西北工业大学机电学院, 西安 710072 |
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| 基金项目： | 国家自然科学基金(51175432);教育部高校博士点专项科研基金(20116102110046);中央高校基础研究基金(3102014JCS05007);111工程(B13044)资助项目 |
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| 摘 要： | 应用分子动力学方法对PAM/PVA互穿网络水凝胶体系进行研究.发现该水凝胶体系的内聚能密度、结合能随着水含量的增加而增加,即体系的稳定性更强.由静态力学性能分析发现随体系含水量的增加,弹性系数、工程模量以及延展性均减小.此外,通过对相关函数的分析,发现H2O分子与其周围原子、官能团之间主要是通过氢键相互作用,形成氢键的强弱关系为Owater >OPVA >OPAM >NPAM,与形成氢键的可能性(难易)关系一致.
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| 关 键 词： | 聚丙烯酰胺 聚乙烯醇 分子动力学 内聚能密度 力学性能 |
| 收稿时间： | 2014-10-18 |
| 修稿时间： | 2015-02-12 |
Effects of Water Content on PAM/PVA Interpenetrating Network Hydrogel Performance |
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| WEI Qinghua,WANG Yanen,YANG Mingming,CHAI Weihong,ZHANG Yingfeng.Effects of Water Content on PAM/PVA Interpenetrating Network Hydrogel Performance[J].Chinese Journal of Computational Physics,2015,32(5):572-578. |
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| Authors: | WEI Qinghua WANG Yanen YANG Mingming CHAI Weihong ZHANG Yingfeng |
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| Institution: | Mechatronics School, Northwestern Polytechnical University, Xi'an 710072, China |
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| Abstract: | To study interpenetrating network hydrogel system of PAM/PVA, molecular dynamics simulation is made to investigate molecular interaction inside a hydrogel system. Effects of water content on PAM/PVA composite hydrogel performance are studied. It is found that cohesive energy density and binding energy of hydrogel system increase with water content increasing. Meanwhile elastic coefficients, engineering modulus and ductility decreased with increasing of water content. In addition, with analysis of pair correlation function, we found that there are mainly hydrogen bonding interactions between H2O molecules and surrounding atoms or functional groups. Strengths of hydrogen bonds formed are Owater >OPVA >OPAM >NPAM, which consists with possibility (difficulty) of forming hydrogen bond. |
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| Keywords: | polyacrylamide polyvinyl alcohol molecular dynamics cohesive energy density mechanical properties |
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