چكيده به لاتين
Abstract:
Global Warming is the result of the increased concentration of Green House Gases, such as carbon dioxide and methane. The Green House Gases that are most abundantly emitted today are CO_2 (56%) and CH_4 (18%). As CO_2 is the most important gas in terms of amounts emitted, it has been widely studied. With the current high consumption of fossil fuels and the rapid increase in atmospheric CO2 concentrations, there is a strong need for energy efficient and selective capture of CO2 from fossil-fuelled power plants and other large industrial sources. Among the various adsorbents explored by the scientific community for CO2 removal from flue gases, graphene is receiving increased attention because of its unique molecular structure and many exciting properties such as high mechanical strength, excellent thermal conductivity, good chemical stability, large accessible surface area, and tunable porosity. In addition, the facile surface functionalization of graphene leads to production of graphene-based materials that have the potential to be applied as advanced next-generation CO2 adsorbents. As a consequence, graphene and its derivatives has been the subject of intence experimental investigations and theoretical studies.
In this study, using molecular dynamics simulation, the adsorption of CO_2 and N_2 mixture on the graphene and graphene oxide(GO) was studied. CO_2 is preferentially adsorbed over N_2 on the GO. The preferential adsorption of CO_2 on the GO sheets derived from their strong interaction is responsible for the selectivity of CO_2 over N_2. Furthermore, the influence of different pressure(22, 30 and 38bar) on the adsorption of CO_2⁄N_2 mixture was investigated.
Keywords: global warming, carbon dioxide, graphene, graphene oxide.
