Application of QSDFT (Quenched Solid Density Functional Theory) for an Accurate Pore Size Analysis of Disordered Porous Carbons
1 April 2008

NLDFT (non-local density functional theory) methods are reliable for the pore size analysis of many materials, but the assumptions in the methods make analysis of carbons with heterogeneous surfaces and disordered pore surfaces difficult.

New QSDFT methods account for surface roughness and heterogeneity explicitly.  This Application Note explains the background to the QSDFT methods and demonstrates the significant improvement obtained by comparing experimental and theoretical isotherms of N2 on carbon.