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Title: Methane storage in flexible metal–organic frameworks with intrinsic thermal management

Authors:
; ; ; ; ; ; ; ; ; ; ; ;  [1]
  1. PSI
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
DOE - BASIC ENERGY SCIENCESNSF
OSTI Identifier:
1227499
Resource Type:
Journal Article
Resource Relation:
Journal Name: Nature (London); Journal Volume: 527; Journal Issue: 11, 2015
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Mason, Jarad A., Oktawiec, Julia, Taylor, Mercedes K., Hudson, Matthew R., Rodriguez, Julien, Bachman, Jonathan E., Gonzalez, Miguel I., Cervellino, Antonio, Guagliardi, Antonietta, Brown, Craig M., Llewellyn, Philip L., Masciocchi, Norberto, and Long, Jeffrey R.. Methane storage in flexible metal–organic frameworks with intrinsic thermal management. United States: N. p., 2016. Web. doi:10.1038/nature15732.
Mason, Jarad A., Oktawiec, Julia, Taylor, Mercedes K., Hudson, Matthew R., Rodriguez, Julien, Bachman, Jonathan E., Gonzalez, Miguel I., Cervellino, Antonio, Guagliardi, Antonietta, Brown, Craig M., Llewellyn, Philip L., Masciocchi, Norberto, & Long, Jeffrey R.. Methane storage in flexible metal–organic frameworks with intrinsic thermal management. United States. doi:10.1038/nature15732.
Mason, Jarad A., Oktawiec, Julia, Taylor, Mercedes K., Hudson, Matthew R., Rodriguez, Julien, Bachman, Jonathan E., Gonzalez, Miguel I., Cervellino, Antonio, Guagliardi, Antonietta, Brown, Craig M., Llewellyn, Philip L., Masciocchi, Norberto, and Long, Jeffrey R.. 2016. "Methane storage in flexible metal–organic frameworks with intrinsic thermal management". United States. doi:10.1038/nature15732.
@article{osti_1227499,
title = {Methane storage in flexible metal–organic frameworks with intrinsic thermal management},
author = {Mason, Jarad A. and Oktawiec, Julia and Taylor, Mercedes K. and Hudson, Matthew R. and Rodriguez, Julien and Bachman, Jonathan E. and Gonzalez, Miguel I. and Cervellino, Antonio and Guagliardi, Antonietta and Brown, Craig M. and Llewellyn, Philip L. and Masciocchi, Norberto and Long, Jeffrey R.},
abstractNote = {},
doi = {10.1038/nature15732},
journal = {Nature (London)},
number = 11, 2015,
volume = 527,
place = {United States},
year = 2016,
month = 6
}
  • The use of porous materials to store natural gas in vehicles requires large amounts of methane per unit of volume. Here we report the synthesis, crystal structure and methane adsorption properties of two new aluminum metal–organic frameworks, MOF-519 and MOF-520. Both materials exhibit permanent porosity and high methane volumetric storage capacity: MOF-519 has a volumetric capacity of 200 and 279 cm 3 cm –3 at 298 K and 35 and 80 bar, respectively, and MOF-520 has a volumetric capacity of 162 and 231 cm 3 cm –3 under the same conditions. Furthermore, MOF-519 exhibits an exceptional working capacity, being ablemore » to deliver a large amount of methane at pressures between 5 and 35 bar, 151 cm 3 cm –3, and between 5 and 80 bar, 230 cm 3 cm –3.« less
  • Cited by 143
  • Diffusion of methane, ethane, propane and n-butane was studied within the micropores of several metal organic frameworks (MOFs) of varying topologies, including the MOFs PCN-14, NU-125, NU-1100 and DUT-49. Diffusion coefficients of the pure components, as well as methane/ethane, methane/ propane and methane/butane binary mixtures, were calculated using molecular dynamics simulations to understand the effect of the longer alkanes on uptake of natural gas in MOB. The calculated self diffusion coefficients of all four components are on the order of 10(-8) m(2)/s. The diffusion coefficients of the pure components decrease as a function of chain length in all of themore » MOFs studied and show different behaviour as a function of loading in different MOB. The self-diffusivities follow the trend DPCN-14 < DNU-125 approximate to DNU-1100 < DDUT-49, which is exactly the reverse order of the densities of the MOFs: PCN-14 > NU-125 approximate to NU-1100 > DUT-49. By comparing the diffusion of pure methane and methane mixtures vvith the higher alkancs, it is observed that the diffusivity of methane is unaffected by the presence of the higher alkanes in the MOFs considered, indicating that the diffusion path of methane is not blocked by the higher alkanes present in natural gas. (C) 2014 Elsevier Ltd. All rights reserved.« less
  • A metal organic framework (MOF) with high volumetric deliverable capacity for methane was synthesized after being identified by computational screening of 204 hypothetical MOF structures featuring (Zr6O4)(OH)(4)(CO2)(n) inorganic building blocks. The predicted MOF (NU-800) has an fcu topology in which zirconium nodes are connected via ditopic 1,4-benzenedipropynoic acid linkers. Based on our computer simulations, alkyne groups adjacent to the inorganic zirconium nodes provide more efficient methane packing around the nodes at high pressures. The high predicted gas uptake properties of this new MOF were confirmed by high-pressure isotherm measurements over a large temperature and pressure range. The measured methane deliverablemore » capacity of NU-800 between 65 and 5.8 bar is 167 cc(STP)/cc (0.215 g/g), the highest among zirconium-based MOFs. High-pressure uptake values of H-2 and CO2 are also among the highest reported. These high gas uptake characteristics, along with the expected highly stable structure of NU-800, make it a promising material for gas storage applications.« less