Brute force determination of the optimum pore sizes for CO2 uptake

Porosity, and in particular pore size is the one of the most important considerations in the development of porous carbons for CO2 capture. Current methods for determining the optimum pore size for adsorption of CO2 either make very broad assumptions (in computational studies), or are not sufficiently thorough (in experimental studies). Herein we present a brute force, first principles method for determining the range of pore sizes, Ω, best suited to adsorption of a given sorptive at a range of pressures. This is then used to determine Ω for CO2 in a broad pressure range according to N2 porosimetry. The analysis is then extended to other porosimetric sorptives and combinations thereof to assess their efficacy in determining Ω for CO2