A highly stable MOF with a rod SBU and a tetracarboxylate linker: unusual topology and CO2adsorption behaviour under ambient conditions

2014 ◽  
Vol 50 (31) ◽  
pp. 4047-4049 ◽  
Author(s):  
Ru-Jin Li ◽  
Mian Li ◽  
Xiao-Ping Zhou ◽  
Dan Li ◽  
Michael O'Keeffe
Keyword(s):  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Solution Theory ◽  
Ambient Conditions ◽  
Ideal Adsorbed Solution Theory ◽  
Metal Organic ◽  
Adsorbed Solution ◽  
Adsorbed Solution Theory ◽  
Organic Framework

A Mn-based rod metal–organic framework (MOF), ROD-6, with a new lrk net is synthesized and studied with Ideal Adsorbed Solution Theory (IAST) for selective gas adsorption.

Ethane/ethylene separation in a metal-organic framework with iron-peroxo sites

Science ◽  
2018 ◽  
Vol 362 (6413) ◽  
pp. 443-446 ◽  
Author(s):  
Libo Li ◽  
Rui-Biao Lin ◽  
Rajamani Krishna ◽  
Hao Li ◽  
Shengchang Xiang ◽  
...  
Keyword(s):  
High Performance ◽  
Theoretical Calculations ◽  
Metal Organic Framework ◽  
Fixed Bed ◽  
Sorption Isotherms ◽  
Breakthrough Curves ◽  
Ambient Conditions ◽  
Ideal Adsorbed Solution Theory ◽  
Metal Organic ◽  
Organic Framework

The separation of ethane from its corresponding ethylene is an important, challenging, and energy-intensive process in the chemical industry. Here we report a microporous metal-organic framework, iron(III) peroxide 2,5-dioxido-1,4-benzenedicarboxylate [Fe2(O2)(dobdc) (dobdc4−: 2,5-dioxido-1,4-benzenedicarboxylate)], with iron (Fe)–peroxo sites for the preferential binding of ethane over ethylene and thus highly selective separation of C2H6/C2H4. Neutron powder diffraction studies and theoretical calculations demonstrate the key role of Fe-peroxo sites for the recognition of ethane. The high performance of Fe2(O2)(dobdc) for the ethane/ethylene separation has been validated by gas sorption isotherms, ideal adsorbed solution theory calculations, and simulated and experimental breakthrough curves. Through a fixed-bed column packed with this porous material, polymer-grade ethylene (99.99% pure) can be straightforwardly produced from ethane/ethylene mixtures during the first adsorption cycle, demonstrating the potential of Fe2(O2)(dobdc) for this important industrial separation with a low energy cost under ambient conditions.

scholarly journals Gram-Scale Synthesis of an Ultrastable Microporous Metal-Organic Framework for Efficient Adsorptive Separation of C2H2/CO2 and C2H2/CH4

Molecules ◽  
2021 ◽  
Vol 26 (17) ◽  
pp. 5121
Author(s):  
Nuo Xu ◽  
Yunjia Jiang ◽  
Wanqi Sun ◽  
Jiahao Li ◽  
Lingyao Wang ◽  
...  
Keyword(s):  
Large Scale ◽  
Metal Organic Framework ◽  
Separation Performance ◽  
Solution Theory ◽  
Ambient Conditions ◽  
Efficient Separation ◽  
Pyridinedicarboxylic Acid ◽  
Metal Organic ◽  
Breakthrough Experiments ◽  
Organic Framework

A highly water and thermally stable metal-organic framework (MOF) Zn2(Pydc)(Ata)2 (1, H2Pydc = 3,5-pyridinedicarboxylic acid; HAta = 3-amino-1,2,4-triazole) was synthesized on a large scale using inexpensive commercially available ligands for efficient separation of C2H2 from CH4 and CO2. Compound 1 could take up 47.2 mL/g of C2H2 under ambient conditions but only 33.0 mL/g of CO2 and 19.1 mL/g of CH4. The calculated ideal absorbed solution theory (IAST) selectivities for equimolar C2H2/CO2 and C2H2/CH4 were 5.1 and 21.5, respectively, comparable to those many popular MOFs. The Qst values for C2H2, CO2, and CH4 at a near-zero loading in 1 were 43.1, 32.1, and 22.5 kJ mol−1, respectively. The practical separation performance for C2H2/CO2 mixtures was further confirmed by column breakthrough experiments.

scholarly journals Predicting adsorption selectivities from pure gas isotherms for gas mixtures in metal–organic frameworks

2020 ◽  
Vol 11 (3) ◽  
pp. 643-655 ◽  
Author(s):  
Arpan Kundu ◽  
Kaido Sillar ◽  
Joachim Sauer
Keyword(s):  
Geometric Mean ◽  
Metal Organic Frameworks ◽  
Gas Mixtures ◽  
Mixing Rule ◽  
Lateral Interactions ◽  
Solution Theory ◽  
Ideal Adsorbed Solution Theory ◽  
Metal Organic ◽  
Adsorbed Solution ◽  
Adsorbed Solution Theory

A new mixing rule (geometric mean) is proposed with substantial improvements compared to the widely used ideal adsorbed solution theory for adsorbates with strong lateral interactions.

scholarly journals Role of Electrostatic Effects in the Pure Component and Binary Adsorption of Ethylene and Ethane in Cu-Tricarboxylate Metal-Organic Frameworks

2007 ◽  
Vol 25 (8) ◽  
pp. 607-619 ◽  
Author(s):  
Timothy M. Nicholson ◽  
Suresh K. Bhatia
Keyword(s):  
Selective Adsorption ◽  
Isosteric Heat ◽  
Pure Component ◽  
Solution Theory ◽  
Ideal Adsorbed Solution Theory ◽  
Separation Factors ◽  
Metal Organic ◽  
Adsorbed Solution ◽  
Gcmc Simulations ◽  
Adsorbed Solution Theory

The interaction of ethane and ethylene with a Cu-tricarboxylate complex was investigated, showing that at low loadings the lighter molecule has a higher binding energy as a result of interaction with framework Cu and H-bonding with basic framework oxygen atoms. This leads to the selective adsorption of ethylene at low pressure by a factor of ca. 2. This is overcome by the stronger van der Waals interaction of ethane at high loadings, explaining recent literature data. Both experimental data and single-component Grand Canonical Monte Carlo (GCMC) simulations were fitted well with the Unilan model and mixture isotherms were satisfactorily predicted by the Ideal Adsorbed Solution Theory when compared with binary simulation results. Both binary GCMC simulations and Ideal Adsorbed Solution Theory predictions yielded separation factors of ca. 2 and a difference in isosteric heat of 3 kJ/mol. The results suggest that the Cu-BTC framework offers a possible route for the separation of ethane and ethylene, a Holy Grail of adsorption.

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