A combined computational and experimental study of high pressure and supercritical CO2 adsorption on Basolite MOFs

被引：40

作者：

Deniz, Erhan ^{[1
]}

Karadas, Ferdi ^{[1
]}

Patel, Hasmukh A. ^{[2
]}

Aparicio, Santiago ^{[3
]}

Yavuz, Cafer T. ^{[2
]}

Atilhan, Mert ^{[1
]}

机构：

[1] Qatar Univ, Dept Chem Engn, Doha, Qatar

[2] Korea Adv Inst Sci & Technol, Grad Sch EEWS, Taejon 305701, South Korea

[3] Univ Burgos, Dept Chem, Burgos, Spain

来源：

MICROPOROUS AND MESOPOROUS MATERIALS | 2013年 / 175卷

关键词：

MOF; Basolite; CO2; Adsorption; High-pressure FTIR; DFT; METAL-ORGANIC FRAMEWORK; CARBON-DIOXIDE CAPTURE; HYDROGEN ADSORPTION; AEROBIC OXIDATION; METHANE; MIL-53(AL); CH4; EQUILIBRIA; CHEMISTRY; NITROGEN;

D O I：

10.1016/j.micromeso.2013.03.015

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

Metal organic frameworks (such as commercial Basolite (R)) display significant promise for CO2 capture and storage. Here, in order to monitor CO2 capture of Basolite (R), we combined high pressure CO2 adsorption with high-pressure FTIR and Monte Carlo simulations. We found that Basolite (R) C300 show an unprecedented rise in capture capacity above 25 bars, as predicted by the DFT calculations. Adsorption isotherms were measured up to 200 bar using a state-of-the-art magnetic suspension balance, and in-situ FTIR studies as a function of pressure allowed characterizing the preferential adsorption sites, and their occupancy with increasing pressure. Monte Carlo molecular simulations were used to infer nanoscopic information of the adsorption mechanism, showing the sorbent-CO2 interactions from structural and energetic viewpoints. (C) 2013 Elsevier Inc. All rights reserved.

引用

页码：34 / 42

页数：9

共 65 条

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