Evaluation of the Structural and Energetic Heterogeneity of Microporous Carbons by Means of Novel Numerical Methods and Genetic Algorithms

Estimating the pore size distribution of activated carbons from adsorption data of different adsorbates by various methods

“…The same situation occurs often for other carbons (for example, the DFT method leads to very similar results for carbon D43/1 (Carbo-Tech, Essen, Germany) as for carbons WD and AHD (Hajnówka, Poland) ( Fig. 11 [52])). In our opinion this behavior of PSDs is very surprising and can be caused by the low sensitivity and the simplifications of the mentioned above methods.…”

“…We studied the influence of n at constant E 0 and, to the contrary, the effect of E 0 at constant n. The obtained curves were converted into high-resolution α s -plots in order to explain the mechanism of adsorption. Moreover, the new algorithm (called the adsorption stochastic algorithm (ASA)) [49][50][51][52][53] was used to solve the problem of fitting the local adsorption isotherms of the Nguyen and Do method [51,[54][55][56] to experimental data [49][50][51][52][53][54][55][56]. The obtained results show that the DA equation generates isotherms describing almost a homogeneous structure of pores and/or a bimodal heterogeneous structure [35].…”

Homogeneous and Heterogeneous Micropore Structures in Carbonaceous Adsorbents—Twenty Years Later

“…Next, generated isotherms were described applying DA equation. In the current study for searching of optimal parameters a modification of simple genetic algorithm (SGA) with real coding was developed (this algorithm was applied successfully by us previously (36,41)). Such a novel optimization technique proposed by Holland (42) and developed by Goldberg (43) belongs to "special artificial intelligence techniques."…”

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

“…For instance, pore size distributions evaluated from low-temperature nitrogen adsorption isotherm by the DFT method are quite similar for activated carbons obtained from different precursors and at different carbonization and activation conditions [7][8][9][10]. They usually posses a bi-modal structure of pores, characterized by a relatively small population of pores near 0.6 nm of width and a near absence of pores in the cooperative filling range centered around 0.9-1.0 nm.…”

“…11. Pore size distributions and the results of fitting of the experimental data (EXP) by theoretical models (IHKM with REG algorithm and ND with ASA algorithm).IHKM kernel (Figs [7][8][9]. shows that REG method indicates the presence of small amount of micropores, while ASA does not.…”