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Synthesis And Photoreaction Characteristic Research Of Photo-Isomerization Azobenzene Compound Of Energy Storage

Posted on:2017-03-18Degree:MasterType:Thesis
Country:ChinaCandidate:L S HongFull Text:PDF
GTID:2311330485978348Subject:Power Engineering and Engineering Thermophysics
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With the economic rapid development, environmental and energy issues have been caused, and the development and utilization of renewable energy have become a task for sustainable development, and solar energy have been the first choice. Restricted by time and space, how to storage and utilize has been the key issue in the field of solar energy. As an important energy storage technology, photochemical has an attractive prospect in the field of solar energy storage.Photoreactive azobenzene molecule can be used to Storage and release solar energy, because of its absorption, circulating isomerization and special group structure. Since azobenzene compound's isomerization rate and absorption spectral range is affected by substituent group and solvent polar, so it is necessary to research on factors affecting to isomerization performance. In this paper, molecular dynamics simulation and experiment were us to study the cis-trans photo-isomerization performance of different azobenzene compound. Specific contents are as follow:(1) The microstructure-. structure and thermal properties of 4-[4-(Dimethylamino) phenylazo] benzenesulfonic acid sodium,5-(3-Nitrophenylazo) salicylic acid and 1-Phenylazo-2-naphthol are characterized by SEM?XRD and TGA et al. in addition, the performance of strans-cis isomerization of azobenzene compound is studied. And the influence of three prolarity of Acetone, ethanol and toluene on the performance of strans-cis isomerization of azobenzene compound is compared.(2) Materials Studio was uesd to build three molecular model of common azobenzene compound included 4-[4-(Dimethylamino) phenylazo] benzenesulfonic acid sodium,5-(3-Nitrophenylazo) salicylic acid, 1-Phenylazo-2-naphthol, then the molecular dynamics simulation was use to analyze the cis-trans isomerization process, and the results have been compared with the experimental results. On the basis, three kinds of novel para azobenzene compoundthree kinds of novel para azobenzene compound were designed and modeled, inclued 4-hydroxy-4'-carboxyl azobenzene,4-hydroxy-4'-ethoxy azobenzene and 4-carboxyl-4'-dimethylamine azobenzene. The parameters of energy and structure before and after isomerization have been analyzed. the results showed energy storage capacity are relate to material potential, and energy storage capacity is 30-70 kJ mol-1.(3) Three kinds of novel para azobenzene compound, included 4-hydroxy-4'-carboxyl azobenzene,4-hydroxy-4'-ethoxy azobenzene and 4-carboxyl-4'-dimethylamine azobenzene were preparated by diazo coupling method, then azobenzene compound structure, microstructure, crystallinity degree, thermal stability and isomerization performance were studied. The results showed that within simple groups, such as hydroxy and carboxyl, all samples had the lower limititation on molecular isomerization and more trans-cis conversion rate, and the trans-cis conversion rate were 70.27%,55.16%,62.3%, respectively.
Keywords/Search Tags:Azobenzene compound, Photo-isomerization, Molecular dynamics simulation, Rate constant, Density functional theory
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