Zirconium-Based Metal Organic Frameworks for the Capture of Carbon Dioxide and Ethanol Vapour. A Comparative Study

Molecules

Leila Boukli-Hacene¹  Phuoc Hoang Ho²  Meryem Saidi²  Fabrice Salles²  Clarence Charnay²  Philippe Trens²  Pankaj Yadav²  Luc Girard³ 

[1] Department of Chemistry, Tlemcen University, Tlemcen BP 119, Algeria;Institut Charles Gerhardt des Matériaux (ICGM), Univ. Montpellier, CNRS, ENSCM, 34090 Montpellier, France;Institut de Chimie Séparative de Marcoule (ICSM), Univ. Montpellier, CNRS, ENSCM, CEA, 30207 Bagnols sur Cèze, France;

关键词: adsorption;    metal organic framework;    carbon dioxide;    ethanol;   

DOI  :  10.3390/molecules26247620

来源: DOAJ

【 摘 要 】

This paper reports on the comparison of three zirconium-based metal organic frameworks (MOFs) for the capture of carbon dioxide and ethanol vapour at ambient conditions. In terms of efficiency, two parameters were evaluated by experimental and modeling means, namely the nature of the ligands and the size of the cavities. We demonstrated that amongst three Zr-based MOFs, MIP-202 has the highest affinity for CO₂ (−50 kJ·mol⁻¹ at low coverage against around −20 kJ·mol⁻¹ for MOF-801 and Muc Zr MOF), which could be related to the presence of amino functions borne by its aspartic acid ligands as well as the presence of extra-framework anions. On the other side, regardless of the ligand size, these three materials were able to adsorb similar amounts of carbon dioxide at 1 atm (between 2 and 2.5 µmol·m⁻² at 298 K). These experimental findings were consistent with modeling studies, despite chemisorption effects, which could not be taken into consideration by classical Monte Carlo simulations. Ethanol adsorption confirmed these results, higher enthalpies being found at low coverage for the three materials because of stronger van der Waals interactions. Two distinct sorption processes were proposed in the case of MIP-202 to explain the shape of the enthalpic profiles.

【 授权许可】

Unknown