【作者】 吴荻；

【导师】 朱吉钦；

【作者基本信息】 北京化工大学 ， 化学工程与技术， 2010， 硕士

【摘要】 离子液体和金属有机骨架材料是近年来国内外备受关注的新型功能性材料,其在化学工程中的应用领域不断扩大。本文制备了咪唑基离子液体和咪唑酯金属有机骨架材料ZIF-7,采用量子力学计算与实验研究相结合的方法,探索了其在相变蓄热以及二氧化碳捕集方面的应用。本文合成了[C4MIM]PF6、[C16MIM]PF6两种离子液体,并用其为微胶囊囊心,三聚氰胺-甲醛树脂作为囊壁材料,采用原位聚合法制备相变微胶囊,对离子液体作为芯材的微胶囊相变材料的合成进行了摸索。对于存在熔化热文献数据的44种离子液体,分别用PM3量子化学半经验方法进行计算,得到其稳定构型及相应结构参数,建立了结构参数与熔化热问的定量相关模型,模型具有良好的关联和预测性能。用差示扫描量热(DSC)法测定了两种成核剂存在情况下离子液体熔融-凝固过程的热特性,研究了成核剂的加入对其过冷度的影响。本文对ZlFs化合物的合成过程进行了详细的实验研究,用XRD对合成的ZIF-7产品进行表征,考察了晶化时间、晶化浓度等因素对ZIFs化合物结晶度的影响。采用恒定容积法,测定了将ZIF-7加入到吸收剂碳酸二甲酯前后,对二氧化碳捕集性能的影响。结果发现在碳酸二甲酯中加入1.5wt%的ZIF-7后,低温下对吸收CO2具有强化作用,而在较高温度下则对解吸有强化作用,这种特性有利于CO：吸收和解吸循环过程的节能,展示了良好的应用潜力。更多还原

【Abstract】 Ionic liquids and Metal-Organic Frameworks are new materials which have been the concern of the researchs at home and abroad.The use of them have been exploring increasingly.In this paper,a ionic liquid with dual functional imidazolyl and a ZIF-7 were prepared. Quantum-mechanical calculation was combined with experiment, and a new application field for phase change energy storage, absorption of CO2 is explored. This article has reported the preparation of [C4MIM]PF6、[C16MIM]PF6, and take them for core material. Melamine-formaldehyde resin as wall materials in-situ Polymerization of Microencapsulated Phase Change.Take ionic liquids as a core material of phase change microencapsulated materials have been exploring the synthesis.The stable configuration and the corresponding parameter of 44 kinds ionic liquids that are in the existing melting heat literature have been optimized with quantum chemistry semi-empirical PM3 method in this paper. The mathematics models of quantitative characterization structural parameter and melting heat were established, the result indicates that models are good enough to exactly be a predicted function and a good correlation.A determine has been made on the thermal properties of the melting and solidification process of ionic liquids by using differential scanning calorimeter (DSC).This paper has carried out a detailed experiment to find out the methods to synthesize ZIF-7 compound. We synthesize different samples in different conditions and analyse their structures by XRD. We have investigated how the crystallization time and crystallization concentration affect the ZIF crystalline compounds by changing single variable.The solubility of CO2 in DMC with ZIF-7 were measured.The result shows that the solubility of CO2 in DMC with 1.5wt% ZIF-7 increases while gas pressure rises and decreases while temperature rises. It indicates that ZIF-7 has potential for absorption of CO2.更多还原