THE STRUCTURAL PARAMETERS OF MICROPOROUS SOLID, INCLUDING FRACTAL DIMENSION, ON THE BASIS OF THE POTENTIAL-THEORY OF ADSORPTION - THE GENERAL-SOLUTION

A program in Fortran has been created on the basis of programs LMDIF t aken from the Minpack Library and also from the book Numerical Recipes in Forti an [Press et al. (1992), 2nd edn, Cambridge University Press , Cambridge]. The program permits the calculation of the structural pa rameters of adsorbents, including fractal dimension, and is based on t he extension of the potential theory of adsorption (DA adsorption) giv en by Dubinin and Astakhov (1971) [Izv. AN. SSSR, Ser Khim. 5, 11-17]. To minimize the number of approximated parameters the program describ es the cases where n (the parameter of the DA adsorption isotherm equa tion) can be different or equal to 2, but assumed ''a priori''. In thi s case the number of parameters is equal to 4. However, for one system only was a reliable value of the fractal dimension obtained: the inst ance of adsorbate-adsorbent (zeolite NaA-water). For this reason we in clude a supplement to the program, which allows the calculation of str uctural parameters for the adsorbent on the basis of a five-parameter equation (N = 5) where n is approximated. In this case all obtained fr actal dimension values are reliable and these suggest that among the z eolites investigated by us the deviation from planarity decreases in t he order CaA > NaA > MgA > MgY > NH4Y. Copyright (C) 1996 Elsevier Sci ence Ltd