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A preliminary study on assessing the Brunauer-Emmett-Teller analysis for disordered carbonaceous materials
Microporous and Mesoporous Materials ( IF 4.8 ) Pub Date : 2021-09-07 , DOI: 10.1016/j.micromeso.2021.111411
Jie Zou 1, 2 , Chunyan Fan 3 , Yun Jiang 4 , Xiu Liu 3 , Wen Zhou 2 , Hao Xu 1 , Liang Huang 2
Affiliation  

The surface area is an important property of porous materials, commonly evaluated through the Brunauer-Emmett-Teller (BET) analysis applied to nitrogen adsorption isotherms at 77 K. However, the applicability of the BET analysis for disordered carbonaceous materials remains under debate. In this work, the disordered carbonaceous materials (coal, kerogen of shale and artificial samples), were chosen as the objective for their BET evaluation. These samples were considered as collections of independent graphite slit pores; the isotherms of these uniform slit pores (kernels) were calculated with Grand Canonical Monte Carlo (GCMC) simulation. Then, the kernels were integrated by following the pore size distribution (PSD) of these real samples to simulate nitrogen adsorption isotherms at 77 K. The BET analysis was conducted for both these simulated isotherms and the uniform slit pores. The results show that the performance of the BET analysis for the carbon slit pores varies with the pore size. As for the mesoporous materials, we found that the BET area derived from the two consistency criteria is reliable, with a maximum overestimation of 18%. For micropores-containing materials, the two consistency criteria shows no obvious advantage over the standard method when the micropore is smaller than 1.8 nm and the micropore volume is non-negligible; the prediction of the BET area (consistency criteria) can be justified by considering the micropore size and percentage of micropore volume. These findings improve the understanding of the BET area and verify the BET analysis on some relevant disordered carbonaceous materials.



中文翻译:

评估无序碳质材料的 Brunauer-Emmett-Teller 分析的初步研究

表面积是多孔材料的一个重要特性,通常通过适用于 77 K 氮吸附等温线的 Brunauer-Emmett-Teller (BET) 分析进行评估。然而,BET 分析对无序碳质材料的适用性仍有争议。在这项工作中,无序的碳质材料(煤、页岩干酪根和人工样品)被选为 BET 评估的目标。这些样品被认为是独立石墨狭缝孔隙的集合;这些均匀狭缝孔(核)的等温线是用 Grand Canonical Monte Carlo (GCMC) 模拟计算的。然后,通过遵循这些真实样品的孔径分布 (PSD) 对内核进行积分,以模拟 77 K 下的氮吸附等温线。对这些模拟等温线和均匀狭缝孔都进行了 BET 分析。结果表明,碳狭缝孔的 BET 分析性能随孔径而变化。对于介孔材料,我们发现由两个一致性标准得出的 BET 面积是可靠的,最大高估了 18%。对于含微孔材料,当微孔小于1.8 nm且微孔体积不可忽略时,两种一致性标准与标准方法相比没有明显优势;BET 面积(一致性标准)的预测可以通过考虑微孔尺寸和微孔体积百分比来证明。这些发现提高了对 BET 区域的理解,并验证了对一些相关无序碳质材料的 BET 分析。

更新日期:2021-09-09
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