Kwiatkowski Mirosław, Serafin Jarosław, Booth Andy M, Michalkiewicz Beata
Department of Fuel Technology, Faculty of Energy and Fuels, AGH University of Science and Technology, al. A. Mickiewicza 30, 30-059 Krakow, Poland.
Department of Chemical Engineering and Barcelona Research Center in Multiscale Science and Engineering, Institute of Energy Technologies, Technical University of Catalonia, EEBE Eduard Maristany 10-14, 08019 Barcelona, Spain.
Materials (Basel). 2021 May 30;14(11):2951. doi: 10.3390/ma14112951.
This paper presents the results of a computer analysis of the effect of activation process temperature on the development of the microporous structure of activated carbon derived from the leaves of common polypody () via chemical activation with phosphoric acid (HPO) at activation temperatures of 700, 800, and 900 °C. An unconventional approach to porous structure analysis, using the new numerical clustering-based adsorption analysis (LBET) method together with the implemented unique gas state equation, was used in this study. The LBET method is based on unique mathematical models that take into account, in addition to surface heterogeneity, the possibility of molecule clusters branching and the geometric and energy limitations of adsorbate cluster formation. It enabled us to determine a set of parameters comprehensively and reliably describing the porous structure of carbon material on the basis of the determined adsorption isotherm. Porous structure analyses using the LBET method were based on nitrogen (N), carbon dioxide (CO), and methane (CH) adsorption isotherms determined for individual activated carbon. The analyses carried out showed the highest CO adsorption capacity for activated carbon obtained was at an activation temperature of 900 °C, a value only slightly higher than that obtained for activated carbon prepared at 700 °C, but the values of geometrical parameters determined for these activated carbons showed significant differences. The results of the analyses obtained with the LBET method were also compared with the results of iodine number analysis and the results obtained with the Brunauer-Emmett-Teller (BET), Dubinin-Radushkevich (DR), and quenched solid density functional theory (QSDFT) methods, demonstrating their complementarity.
本文介绍了通过在700、800和900℃的活化温度下用磷酸（H₃PO₄）进行化学活化，对由普通多足蕨（）叶片衍生的活性炭微孔结构发育过程中活化工艺温度影响的计算机分析结果。本研究采用了一种非传统的多孔结构分析方法，即使用基于数值聚类的新型吸附分析（LBET）方法以及所实施的独特气体状态方程。LBET方法基于独特的数学模型，除了考虑表面非均质性外，还考虑了分子簇分支的可能性以及吸附质簇形成的几何和能量限制。它使我们能够根据所确定的吸附等温线，全面而可靠地确定一组描述碳材料多孔结构的参数。使用LBET方法进行的多孔结构分析基于为各个活性炭测定的氮气（N₂）、二氧化碳（CO₂）和甲烷（CH₄）吸附等温线。所进行的分析表明，所获得的活性炭对CO₂的吸附容量在活化温度为900℃时最高，该值仅略高于在700℃制备的活性炭，但为这些活性炭确定的几何参数值显示出显著差异。还用LBET方法获得的分析结果与碘值分析结果以及用布鲁诺尔-埃米特-泰勒（BET）、杜比宁-拉杜什凯维奇（DR）和猝灭固体密度泛函理论（QSDFT）方法获得的结果进行了比较，证明了它们的互补性。
