NO۲ Adsorption in Carbon Nanocone with Various Apex Angles by Monte Carlo Simulation

This study aimed to investigate the adsorption of nitrogen dioxide at ambient temperature andpressure range of ۰.۰ to ۱۰۰۰ kPa using Monte Carlo simulation method. At first, the NO۲ absorption in thecarbon nanocone with various apex angles was investigated. The simulation results showed that the nanoconewith angle of ۲۴۰º has the highest amount of absorption. Therefore, this nanocone was used to continue thesimulation. Also, the results indicated that the absorption isotherm of gas in nanocone is type-I, and the amountof NO۲ gas absorption in the nanocone with angle of ۲۴۰º is ۲.۰۳ mmol/g under ambient conditions

Keywords:

Adsorption , Carbon Nanocone , Apex Angle , Monte Carlo