Adsorption and Gas Separation of Molecules by Carbon Nanohorns

被引：9
作者：
Gatica, Silvina M. [1 ]
Nekhai, Anton [2 ]
Scrivener, Adam [3 ]
机构：
[1] Howard Univ, Dept Phys & Astron, 2355 Sixth St NW, Washington, DC 20059 USA
[2] Rensselaer Polytech Inst, 110 Eighth St, Troy, NY 12180 USA
[3] Univ Rochester, Dept Comp Sci, 500 Joseph C Wilson Blvd, Rochester, NY 14627 USA
来源：
MOLECULES | 2016年 / 21卷 / 05期
基金：
美国国家科学基金会;
关键词：
adsorption; carbon nanohorns; carbon dioxide; NANOTUBE BUNDLES; C-168; SCHWARZITE; CO2; ADSORPTION; GRAPHITE; STORAGE; SIMULATION; HYDROGEN; VAPOR; MODEL; N-2;
D O I：
10.3390/molecules21050662
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
In this paper, we report the results of Monte Carlo simulations of the adsorption of neon, argon, methane and carbon dioxide in carbon nanohorns. We model the nanohorns as an array of carbon cones and obtained adsorption isotherms and isosteric heats. The main sites of adsorption are inside the cones and in the interstices between three cones. We also calculated the selectivity of carbon dioxide/methane, finding that nanohorns are a suitable substrate for gas separation. Our simulations are compared to available experimental data.
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页数：11
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