Journal of Colloid and Interface Science, Vol.256, No.2, 378-395, 2002
Evaluation of the structural and energetic heterogeneity of microporous carbons by means of novel numerical methods and genetic algorithms
The main purpose of this study is to present a new method of evaluation of the heterogeneity of microporous carbons (called the LAPLACE method). The simple genetic algorithm (SGA) is modified and applied to the study of the LAPLACE method. The applicability of this procedure as well as the CONTIN package is checked based on new adsorption isotherm equations derived for two model pore size distributions (trapezoidal and bitriangular). The obtained results show that the proposed procedure and algorithm can be successfully used for the evaluation of the heterogeneity of microporous carbons. This procedure, as well as other (namely the Jaroniec-Choma equation, DFT theory, Nguyen-Do, and Horvath-Kawazoe) methods, together with the distributions of adsorption potential and adsorption energy, is applied to the characterization of series of commercially available carbons.