Abstract: CO2 capture and storage is a potential means to alleviate global warming and ocean acidification. Herein, CO2 capture with various functionalized graphanes and the effects of functional groups are investigated by density functional theory (DFT). Our results show that CO2 adsorbs weakly on a bare graphane sheet, and absorbs slightly better when functionalized with P-substituted graphane, and increasingly better with PH2-grafted on H atoms. Further, the presence of H2O would provide strong CO2 adsorption and the exothermic adsorption energies could reach about -42 kJ/mol with PH2-grafted on graphane. This computational work provides an atomic-level strategy in the design of functionalized graphane and carbon-based adsorbent materials for CO2 capture and storage.

• Publication Date: 27-May-2015
• DOI: 10.15224/978-1-63248-060-6-08
• Views: 0
• Downloads: 0

Abstract: n this study some historical silk textiles were investigated using Fourier transform infrared (FTIR) spectroscopy. The main aim of our research was to investigate conformational changes of silk protein, fibroin, caused by ageing depending on environmental conditions. Silk textiles obtained from the wall decorations of an Ottoman Kiosk (Istanbul-Turkey) and some excavated silk textile specimens obtained from Ancient Ainos excavations were investigated in comparison with those of new and 100 years old Bombyx mori silk specimens. It was found that structural transformations from β-sheet domain to β-turn and random coil conformations occur due to degradation. It was shown that IR spectroscopy provides a quantification of degradation of silk objects

• Publication Date: 27-May-2015
• DOI: 10.15224/978-1-63248-060-6-09
• Views: 0
• Downloads: 0