Aligned Carbon Nanotubes for Selective Gas Adsorption
سخنران: دکتر مهشید رحیمی
زمان : سه شنبه ۷دی – ساعت ۱۶
مسئول اجرایی: فاطمه فرهادی
طراح پوستر: شیوا صداقت
Abstract: Carbon dioxide and sulfur dioxide are environmentally noxious components of flue and exhaust gases. Hence, new solutions for carbon dioxide and sulfur dioxide sequestration and storage are highly important. We used grand-canonical Monte Carlo simulations to understand the adsorption of carbon dioxide and sulfur dioxide in bundles of regular parallel arrays of carbon nanotubes of different tube diameters and different intertube distances. Such carbon nanotube arrays have recently become available experimentally. The adsorption isotherms showed that the intertube distance plays a more important role than the nanotube diameter. Optimizing the intertube distance can increase the adsorption up to ~40%, depending on the system and pressure. The separation behavior of binary mixtures in carbon nanotubes shows that the quantity and quality of the selectivity for each system depends on the intertube distance of nanotubes and the type of the adsorbate molecules. The simulation results and their agreement with experiments show that grand-canonical Monte Carlo simulation can be used as a pre-screening method for experiments. Furthermore, the results help to understand the mechanism and molecular origin of adsorption and separation behavior of gases on adsorbents. Moreover, they show the carbon nanotube arrays as a promising material for adsorption and separation of harmful gases.