An experimental and simulation study of binary adsorption in metal–organic frameworks

Yang, Ying and Sitprasert, Chatcharin and Rufford, Thomas E. and Ge, Lei ORCID: and Shukla, Pradeep and Wang, Shaobin and Rudolph, Victor and Zhu, Zhonghua (2015) An experimental and simulation study of binary adsorption in metal–organic frameworks. Separation and Purification Technology, 146. pp. 136-142. ISSN 1383-5866


Large surface area, high gas adsorption capacity and convenient synthesis methods make microporous
metal–organic frameworks (MOFs) a promising adsorbent for gas separation of CO2/N2 and CO2/CH4. This study examines the selective adsorption of CO2 on MOFs through the experimental measurement of equilibrium adsorption capacities from pure fluids (CO2, CH4 and N2) and mixtures of CO2/N2 and CO2/CH4. The derived adsorption selectivity from binary adsorption measurements is higher than the
ideal selectivity. Comparing with direct binary adsorption experiments, the Ideal Adsorbed Solution Theory (IAST) model using best-fit parameters for Langmuir isotherms of each pure fluid provides satisfactory predictions for the binary mixtures of CO2/N2 and CO2/CH4. This combined experimental and modeling approach can provide criteria to screen metal–organic frameworks for the separation of
gas mixtures at industrially relevant compositions, temperatures and pressures.

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Item Type: Article (Commonwealth Reporting Category C)
Refereed: Yes
Item Status: Live Archive
Additional Information: Permanent restricted access to Published version due to publisher copyright policy.
Faculty/School / Institute/Centre: No Faculty
Faculty/School / Institute/Centre: No Faculty
Date Deposited: 27 Apr 2017 00:27
Last Modified: 28 Apr 2017 03:56
Uncontrolled Keywords: MOFs; binary adsorption; gas selectivity; ideal adsorbed solution theory
Fields of Research (2008): 09 Engineering > 0912 Materials Engineering > 091202 Composite and Hybrid Materials
09 Engineering > 0904 Chemical Engineering > 090401 Carbon Capture Engineering (excl. Sequestration)
Fields of Research (2020): 40 ENGINEERING > 4016 Materials engineering > 401602 Composite and hybrid materials
40 ENGINEERING > 4004 Chemical engineering > 400401 Carbon capture engineering (excl. sequestration)
Socio-Economic Objectives (2008): E Expanding Knowledge > 97 Expanding Knowledge > 970103 Expanding Knowledge in the Chemical Sciences
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