Heats of Adsorption for Seven Gases in Three Metal−Organic Frameworks: Systematic Comparison of Experiment and Simulation

详细信息    查看全文

• 作者：David Farrusseng ; Ccile Daniel ; Cyril Gaudillre ; Ugon Ravon ; Yves Schuurman ; Claude Mirodatos ; David Dubbeldam ; Houston Frost ; Randall Q. Snurr
• 刊名：Langmuir
• 出版年：2009
• 出版时间：July 7, 2009
• 年：2009
• 卷：25
• 期：13
• 页码：7383-7388
• 全文大小：818K
• 年卷期：v.25,no.13(July 7, 2009)
• ISSN：1520-5827

文摘

The heat of adsorption is an important parameter for gas separation and storage applications in porous materials such as metal−organic frameworks (MOFs). There are, however, few systematic studies available in the MOF literature. Many papers report results for only one MOF and often only for a single gas. In this work, systematic experimental measurements by TAP-2 are reported for the heats of adsorption of seven gases in three MOFs. The gases are Kr, Xe, N₂, CO₂, CH₄, n-C₄H₁₀, and i-C₄H₁₀. The MOFs studied are IRMOF-1, IRMOF-3, and HKUST-1. The data set provides a valuable test for molecular simulation. The simulation results suggest that structural differences in HKUST-1 experimental samples may lead to differing heats of adsorption.