Abstract
Nitrogen physical adsorption, from 50 up to 120 K, on a defective C 6 0 fullerene solid is studied with Grand Canonical Monte Carlo computer simulations. New adsorption sites are produced due to the creation of a vacancy in the fcc crystal structure of C 6 0 . The distributions of molecules with respect to their gas-solid and gas-gas interaction energies are analyzed. The contribution of the internal cavity of the solid to the total surface area is estimated from the local isotherms. The adsorbate cross-sectional area is calculated at all temperatures. The isosteric heat of adsorption is calculated from the Henry's Law constant. The adsorption energy distribution functions are discussed comparing the simulation results with experimental isotherms.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
