Estimation of the pore-size distribution function from the nitrogen adsorption isotherm. Comparison of density functional theory and the method of Do and co-workers

Optimization of Mesoporous Activated Carbon from Coconut Shells by Chemical Activation with Phosphoric Acid

“…6187 theory) method by minimizing the grand potential as a function of the fluid density profile. The volume fractions of micropores, mesopores, and macropores were calculated based on the tabular PSD data (Ismadji and Bhatia 2001;Kowalczyk et al 2003;McCallum et al 1999;Valladares et al 1998).…”

Effects of CO2 activation on porous structures of coconut shell-based activated carbons

“…The total volume was estimated by converting the amount of N 2 gas adsorbed at a relative pressure of 0.99 to liquid volume of the adsorbate (N 2 ). PSD was computed by the NLDFT method by minimizing the grand potential as a function of the fluid density profile [17][18][19]. The NLDFT method for deriving PSDs is based on the assumption that experimental isotherms can be expressed as the sum of contributions from ideal isotherms calculated for adsorbate molecules on pores of fixed shape and size, the weighing function being equivalent to the PSD.…”

Description of benzene adsorption in slit-like pores. Theoretical foundations of the improved Horvath–Kawazoe method

“…these methods are relatively complicated and time-consuming (the last limitation is due to the power of present-time computes). On the other hand, as was shown recently, some simple methods--for example the ND method, leads to the same results as DFT and GCMC for carbons considerably differing in porosity [1][2][3]. However, the thermodynamical verification of this method showed that it also should be improved [3,4].…”

“…Advanced numerical algorithms (i.e. ASA (adsorption stochastic algorithm) [1,2,[27][28][29] and REG (Hansen's regularization tool)) [30] are used for the solution of the classical ill-posed problem (i.e. inverting of Fredholm linear integral equation of the first kind).…”