The technique of micropore size distribution reconstruction on the basis of the Dubinin theory of volume filling

A simple numerical algorithm for the reconstruction of micropore size distr ibution (MPSD) dealing with equilibrium adsorption isotherm data is present ed. The mathematical model is based on the theory of volume filling of micr opores (TVFMP) and the regularization method was used in the numerical algo rithm for solving the TVFMP inverse problem. The two different approaches t o inversion of the initial integral equation, namely, the MPSD reconstructi on in terms of both micropore volume and micropore surface area, are analys ed. The various exponent values in the local Dubinin-Astakhov isotherm and two types of smoothing functionals are analysed with the aim of studying th eir influence on the results of the MPSD reconstruction. On the basis of nu merical experiments with the various model distributions, a simple scheme f or choosing the regularization's optimal parameter is proposed. This scheme allows one to use observed data in calculations, obtained during only one experimental run, that essentially decrease the time of a cycle; fur exampl e an adsorption experiment-a MPSD reconstruction. The N-2 adsorption isothe rm for the properly characterized molecular sieve, carbon HGS-638, was used for testing the proposed technique. The results of MPSD reconstruction cal culated in terms of the surface area model are in good agreement with thr k nown data for this sample. The present technique can be applied to analysis of a wide class of micropore materials, such as zeolites, molecular sieves and carbon sorbents.