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Effects of Molecular Cross-Sectional Areas of Adsorbed Nitrogen on the Brunauer–Emmett–Teller Analysis for Carbon-Based Slit Pores
Langmuir ( IF 3.7 ) Pub Date : 2020-11-25 , DOI: 10.1021/acs.langmuir.0c02514 Jie Zou 1 , Chunyan Fan 2 , Xiu Liu 2
Langmuir ( IF 3.7 ) Pub Date : 2020-11-25 , DOI: 10.1021/acs.langmuir.0c02514 Jie Zou 1 , Chunyan Fan 2 , Xiu Liu 2
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Brunauer–Emmett–Teller (BET) surface area obtained by nitrogen adsorption is a commonly adopted value to characterize the specific surface area for porous materials. In the BET method, the widely applied cross-sectional area of nitrogen is 16.2 Å2, which has been found to be an oversimplified assumption. The adsorption isotherms of nitrogen simulated with the 2CLJ (Lennard-Jones) + 3q molecular model at 77 K was utilized to determine the cross-sectional area and its behavior as a function of pressure, pore size, and solid affinity. The cross-sectional area shows a negative relation with the pressure and varies with pore size and solid affinity. The overestimation of the BET surface area might arise from the inaccurately determined monolayer adsorption capacity and the cross-sectional area.
中文翻译：
吸附氮的分子截面积对碳基狭缝孔隙的Brunauer-Emmett-Teller分析的影响
通过氮吸附获得的布鲁诺尔-埃默特-泰勒（BET）表面积是表征多孔材料比表面积的常用值。在BET法中，氮的广泛应用的截面积是16.2埃2，这已被发现是过于简化的假设。利用2CLJ（Lennard-Jones）+ 3q分子模型在77 K下模拟的氮吸附等温线，用于确定横截面积及其行为，该行为与压力，孔径和固体亲和力有关。横截面积与压力呈负相关，并随孔径和固体亲和力而变化。BET表面积的过高估计可能是由于单层吸附容量和横截面积的确定不正确所致。
更新日期：2020-12-08
中文翻译：
吸附氮的分子截面积对碳基狭缝孔隙的Brunauer-Emmett-Teller分析的影响
通过氮吸附获得的布鲁诺尔-埃默特-泰勒（BET）表面积是表征多孔材料比表面积的常用值。在BET法中，氮的广泛应用的截面积是16.2埃2，这已被发现是过于简化的假设。利用2CLJ（Lennard-Jones）+ 3q分子模型在77 K下模拟的氮吸附等温线，用于确定横截面积及其行为，该行为与压力，孔径和固体亲和力有关。横截面积与压力呈负相关，并随孔径和固体亲和力而变化。BET表面积的过高估计可能是由于单层吸附容量和横截面积的确定不正确所致。
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