基于太阳能储能材料的偶氮苯化合物性能研究  

PERFORMANCE STUDY OF AZOBENZENE COMPOUNDS BASED ON MATERIAL FOR SOLAR ENERGY STORAGE

作　　者：洪立水 黄金[1] 胡艳鑫[1] 江艳[1] 王婕[1] 李春海[2] 

机构地区：[1]广东工业大学材料与能源学院,广州510006 [2]广东石油化工学院化学与生命科学学院,茂名525000

出　　处：《太阳能学报》2017年第7期1761-1766,共6页Acta Energiae Solaris Sinica

基　　金：国家自然科学基金(51476038)

摘　　要：该文旨在验证在3-(4-苯胺基苯偶氮基)苯磺酸钠和对二甲氨基偶氮苯邻羧酸稀溶液中存在反顺异构现象,及取代基团变化对其性能的影响。通过自行搭建的模拟太阳光源照射反应溶液,对象化合物表现反顺异构化响应,采用UV-Vis(ultraviolet-visible spectroscopy)分光光度计测出不同时刻化合物的吸收光谱图,分析得出异构化反应为一级动力学反应。结合密度泛函理论(DFT)运用材料模拟软件Materials Studio建模,对化合物进行动力学模拟。结果表明,顺反构象间能量差约为40 kJ/mol。当改变苯环上氢原子取代基团,化合物储能密度得到提高,同时对其芳香性和异构化转化速率产生影响。The photo-induced cis-trans isomerism in the dilute solution of 3-（4-Anilinophenylazo） benzenesulfonic acid sodium and 2- （4- Dimethylaminophenylazo） benzoic acid is confirmed, and the influence of substituent type on theperformance is also investigated in this paper. The cis-trans isomerization response of the azobenzene compound solutions is studied by a self-designed simulated solar light irradiation set-up and UV-Visabsorption spectrum. The isomerization reaction of the azobenzene compound is corresponding to First Order Kinetics Reaction. Studio Materials was used to model and the kinetic simulation of the azobenzene compounds was performed using the density functional theory.The simulation results show that the energy difference between the cis and trans conformation is about 40 kJ/mol and that the substituent group of benzene hydrogen atomhas an impact on the energy storage density and the cis-trans isomerization conversion rate of the azobenzene compounds.

关 键 词：偶氮苯化合物 光致异构 太阳能储能 密度泛函理论 

分 类 号：TK02[动力工程及工程热物理]