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Title Υπολογισμός κόστους μέταλλο-οργανικών πολυμερών συναρμογής και συσχέτιση τους με δομικές ιδιότητες
Author Μπαντής, Κωνσταντίνος Νικ.
Thesis advisor Τυλλιανάκης, Εμμανουήλ
Abstract The objective of this study is to investigate the cost of metall-organic frameworks and the correlation with their structural properties. The discovery of the most ideal metall-organic framework, in terms of performance and cost, in the scientific community. The materials studied were MOFs and some subcategories like ZIFs and IRMOF. Finding their synthesis was performed by research in several earlier scientific publications. Then an attempt was made to be a correlation between structural properties and the cost of synthesizινγ the metallo-organic framework. A comparison between adsorptive capacity and the materials cost, as well as a calculation of the void volume of molecules. Accessible volume is the free volume that can go a molecule that is adsorbed. The contact surface and selectivity was calculated which under the IST theory for a particular material is the ratio of the Henry Constants. All this was not easy to place because except for the parameters and the code will have a time to have the atomic coordinates, viz the CIF files (Crystalographic Information File) which was difficult to find as a reason of the lack of publications. All this was done with a program that is called Materials studio.
Language Greek
Issue date 2016-03-18
Collection   School/Department--School of Sciences and Engineering--Department of Materials Science and Technology--Graduate theses
  Type of Work--Graduate theses
Permanent Link https://elocus.lib.uoc.gr//dlib/1/4/7/metadata-dlib-1456915541-218644-15766.tkl Bookmark and Share
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