On the computer simulations of carbon nanoparticles porosity: statistical mechanics model for CO 2 and N 2 adsorption isotherms

A new approach model was developed for the pore size characterization of carbon porous materials, using adsorption gases. The experimental adsorption isotherms of CO 2 and N 2 onto carbon nanoparticles were used to test the validity of such model. The Trimodal-Gauss-Monolayer model has been found to adjust well the experimental data of CO 2 sorption at 273 K and has allowed detect the ultra-micropores till 0.7 nm. For the mesopores and macropores, it has been concluded that the N 2 sorption isotherms at 77 K are suitable to characterize this kind of porosity. These isotherms have been well fitted with the Gauss-Monolayer/Gauss-Finite Multilayer model derived from the same approach. Thereby, the novel method can be used as a generalized technique for the simulation of type IVa isotherms. Indeed, this novel method agreed with other methods, NLDFT, QSDFT, and VBS available for pore size distribution.