TY - JOUR
T1 - High Propane and Isobutane Adsorption Cooling Capacities in Zirconium-Based Metal-Organic Frameworks Predicted by Molecular Simulations
AU - Chen, Haoyuan
AU - Chen, Zhijie
AU - Farha, Omar K.
AU - Snurr, Randall Q.
N1 - Funding Information:
This research (simulation and sorption) was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Award DE-FG02-17ER16362. O.K.F. gratefully acknowledges support from the Defense Threat Reduction Agency (HDTRA1-19-1-0007) for MOF synthesis. This work made use of the EPIC facility of Northwestern University’s NUANCE Center, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI-1542205); the MRSEC program (NSF DMR-1720139) at the Materials Research Center; the International Institute for Nanotechnology (IIN); the Keck Foundation; and the State of Illinois, through the IIN. This work made use of the IMSERC at Northwestern University, which has received support from the NSF (CHE-1048773 and DMR0521267); the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI-1542205); and the State of Illinois and International Institute for Nanotechnology (IIN). We gratefully acknowledge the computing resources provided by the Quest high-performance computing facility at Northwestern University. We also thank Lin Zhang (Nanjing Tech University) for helpful discussions on this work.
Publisher Copyright:
Copyright © 2019 American Chemical Society.
PY - 2019/11/18
Y1 - 2019/11/18
N2 - Adsorption cooling systems are emerging alternatives to traditional compression-based cooling systems due to their reduced electricity costs. Metal-organic frameworks (MOFs) have the potential to be ideal adsorbent materials for this application, as they can be tuned to have desired adsorption behavior for different refrigerants. In this work, we studied the adsorption behaviors of propane and isobutane, which are environmentally friendly refrigerants that have been recommended as substitutes for (hydro)chlorofluorocarbons, in two mesoporous Zr-based MOFs, namely, NU-1000 and NU-1003, which have the same topology but different pore sizes. Both MOFs showed high cooling capacities with the refrigerants, and for isobutane, the cooling capacities were 2 to 4 times higher than MIL-101, which is the only MOF with a previously reported isobutane adsorption cooling capacity.
AB - Adsorption cooling systems are emerging alternatives to traditional compression-based cooling systems due to their reduced electricity costs. Metal-organic frameworks (MOFs) have the potential to be ideal adsorbent materials for this application, as they can be tuned to have desired adsorption behavior for different refrigerants. In this work, we studied the adsorption behaviors of propane and isobutane, which are environmentally friendly refrigerants that have been recommended as substitutes for (hydro)chlorofluorocarbons, in two mesoporous Zr-based MOFs, namely, NU-1000 and NU-1003, which have the same topology but different pore sizes. Both MOFs showed high cooling capacities with the refrigerants, and for isobutane, the cooling capacities were 2 to 4 times higher than MIL-101, which is the only MOF with a previously reported isobutane adsorption cooling capacity.
KW - Adsorption cooling
KW - Hydrocarbons
KW - Metal-organic frameworks
KW - Molecular simulations
KW - Monte Carlo
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U2 - 10.1021/acssuschemeng.9b05368
DO - 10.1021/acssuschemeng.9b05368
M3 - Article
AN - SCOPUS:85074647944
VL - 7
SP - 18242
EP - 18246
JO - ACS Sustainable Chemistry and Engineering
JF - ACS Sustainable Chemistry and Engineering
SN - 2168-0485
IS - 22
ER -
