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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
≈14 Å ≈28 Å What we find: NU-100 MOF Activation: Can We Use This
• • Heating at 100°C under vacuum Failed
Solvent exchange, then room temperature
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.
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.,
45 g/L total 2010. 42 NU-100. Ineffective at ambient
temperature: Binding is too
6 200 Volume of H 2 (cc/g) qst (kJ/mol) 5
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.
- Winter '14