MOF for energy appl

Cf m schroder et al and h c zhou et al new hexatopic

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Unformatted text preview: ures. cf. M. Schroder, et al. and H-C. Zhou, et al. New Hexatopic Strut 3,24 Net Expected Structure Prediction Combine new strut with Cu-paddlewheels in Fm-3m space group R. Q. Snurr, et al. Predicted Surface Area of NU-100 Simulated Structure → Simulated N2 isotherm → BET Model Applicability of the BET method to MOFs: Y. S. Bae, O. Yazaydin, R. Q. Snurr, “Evaluation of the BET Method for Determining Surface Areas for MOFs and Zeolites that Contain Ultramicropores,” Langmuir 2010, 26, 5475-5483. Predicted Surface Area of NU-100 Simulated Structure → Simulated N2 isotherm → BET Model Applicability of the BET method to MOFs: K. S. Walton, R. Q. Snurr, “Applicability of the BET Method for Determining Surface Areas of Microporous Metal-Organic Frameworks,” J.Am.Chem.Soc. 2007, 129, 8552-8556. What we find: NU-100 What we find: NU-100 truncated octahedron truncated tetrahedral ≈15 Å cubaoctahedral ≈14 Å ≈28 Å What we find: NU-100 MOF Activation: Can We Use This New Material? • • • Heating at 100°C under vacuum Failed Solvent exchange, then room temperature evacuation Failed -ethanol -acetone -chloroform Modified supercritical drying success Conventional and Solvent Exchange Activation Supercritical CO2 Activation Predicted Surface Area of NU-100 Simulated Structure → Simulated N2 isotherm → BET Model Experimental BET Surface Area → 6,200 m2/g One gram of NU-100 has the same surface area as a soccer field One pound of NU-100 has a surface area of one square mile 1 mile2 You are here NU-100. State-of-the-Art for MOF-based H2 Storage H2 uptake (mg/g) 200 NU-100 expt. (excess) NU-100 expt. (total) 150 100 50 0 0 20 40 60 Pressure (bar) Hydrogen uptake at 77 K and 70 bar: 99.5 mg / g excess (56 bar) 164 mg / g total 14.3 wt% total Farha, et al., Nature Chemistry, 45 g/L total 2010. 42 NU-100. Ineffective at ambient temperature: Binding is too weak… 6 200 Volume of H 2 (cc/g) qst (kJ/mol) 5 4 3 2 150 100 77K ads 77K des 50 87K ads 1 0 0 5 10 15 N (mg/g)...
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This document was uploaded on 02/02/2014.

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