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Title: Nanoporous Materials Can Tune the Critical Point of a Pure Substance

Abstract

Molecular simulations and NMR relaxometry experiments demonstrate that pure benzene or xylene confined in isoreticular metal-organic frameworks (IRMOFs) exhibit true vapor-liquid phase equilibria where the effective critical point may be reduced by tuning the structure of the MOF. Our results are consistent with vapor and liquid phases extending over many MOF unit cells. These results are counterintuitive since the MOF pore diameters are approximately the same length scale as the adsorbate molecules. As applications of these materials in catalysis, separations, and gas storage rely on the ability to tune the properties of adsorbed molecules, we anticipate that the ability to systematically control the critical point, thereby preparing spatially inhomogeneous local adsorbate densities, could add a new design tool for MOF applications.

Authors:
 [1];  [1];  [2];  [3];  [4];  [5]
  1. Univ. of California, Berkeley, CA (United States)
  2. Univ. of California, Berkeley, CA (United States); Norwegian Univ. of Science and Technology, Trondheim (Norway)
  3. Univ. of California, Berkeley, CA (United States); Delft Univ. of Technology (Netherlands)
  4. Univ. of California, Berkeley, CA (United States; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  5. Univ. of California, Berkeley, CA (United States; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Inst. of Chemical Sciences and Engineering (Switzerland)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1464131
Grant/Contract Number:  
SC0001015; AC02-05CH11231; 230534
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Angewandte Chemie (International Edition)
Additional Journal Information:
Journal Name: Angewandte Chemie (International Edition); Journal Volume: 54; Journal Issue: 48; Journal ID: ISSN 1433-7851
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; metal–organic frameworks; microporous materials; NMR relaxometry; phase diagrams; phase transitions

Citation Formats

Braun, Efrem, Chen, Joseph J., Schnell, Sondre K., Lin, Li-Chiang, Reimer, Jeffrey A., and Smit, Berend. Nanoporous Materials Can Tune the Critical Point of a Pure Substance. United States: N. p., 2015. Web. doi:10.1002/anie.201506865.
Braun, Efrem, Chen, Joseph J., Schnell, Sondre K., Lin, Li-Chiang, Reimer, Jeffrey A., & Smit, Berend. Nanoporous Materials Can Tune the Critical Point of a Pure Substance. United States. doi:10.1002/anie.201506865.
Braun, Efrem, Chen, Joseph J., Schnell, Sondre K., Lin, Li-Chiang, Reimer, Jeffrey A., and Smit, Berend. Wed . "Nanoporous Materials Can Tune the Critical Point of a Pure Substance". United States. doi:10.1002/anie.201506865. https://www.osti.gov/servlets/purl/1464131.
@article{osti_1464131,
title = {Nanoporous Materials Can Tune the Critical Point of a Pure Substance},
author = {Braun, Efrem and Chen, Joseph J. and Schnell, Sondre K. and Lin, Li-Chiang and Reimer, Jeffrey A. and Smit, Berend},
abstractNote = {Molecular simulations and NMR relaxometry experiments demonstrate that pure benzene or xylene confined in isoreticular metal-organic frameworks (IRMOFs) exhibit true vapor-liquid phase equilibria where the effective critical point may be reduced by tuning the structure of the MOF. Our results are consistent with vapor and liquid phases extending over many MOF unit cells. These results are counterintuitive since the MOF pore diameters are approximately the same length scale as the adsorbate molecules. As applications of these materials in catalysis, separations, and gas storage rely on the ability to tune the properties of adsorbed molecules, we anticipate that the ability to systematically control the critical point, thereby preparing spatially inhomogeneous local adsorbate densities, could add a new design tool for MOF applications.},
doi = {10.1002/anie.201506865},
journal = {Angewandte Chemie (International Edition)},
number = 48,
volume = 54,
place = {United States},
year = {Wed Sep 30 00:00:00 EDT 2015},
month = {Wed Sep 30 00:00:00 EDT 2015}
}

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Cited by: 4 works
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Works referenced in this record:

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