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Title: Impact of intrinsic framework flexibility for selective adsorption of sarin in non-aqueous solvents using metal–organic frameworks

Abstract

We assess the nontrivial deviation in predicting the adsorption selectivity from bulk mixtures of complex molecules using nanoporous adsorbents approximated as rigid and intrinsically flexible.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [1]
  1. School of Chemical & Biomolecular Engineering, Georgia Institute of Technology, Atlanta, USA
  2. Nanoscale Sciences Department, Sandia National Laboratories, Albuquerque, USA
  3. Geochemistry Department, Sandia National Laboratories, Albuquerque, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1603799
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
[Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 22 Journal Issue: 11]; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Park, Jongwoo, Agrawal, Mayank, Sava Gallis, Dorina F., Harvey, Jacob A., Greathouse, Jeffery A., and Sholl, David S. Impact of intrinsic framework flexibility for selective adsorption of sarin in non-aqueous solvents using metal–organic frameworks. United Kingdom: N. p., 2020. Web. doi:10.1039/C9CP06788D.
Park, Jongwoo, Agrawal, Mayank, Sava Gallis, Dorina F., Harvey, Jacob A., Greathouse, Jeffery A., & Sholl, David S. Impact of intrinsic framework flexibility for selective adsorption of sarin in non-aqueous solvents using metal–organic frameworks. United Kingdom. doi:10.1039/C9CP06788D.
Park, Jongwoo, Agrawal, Mayank, Sava Gallis, Dorina F., Harvey, Jacob A., Greathouse, Jeffery A., and Sholl, David S. Wed . "Impact of intrinsic framework flexibility for selective adsorption of sarin in non-aqueous solvents using metal–organic frameworks". United Kingdom. doi:10.1039/C9CP06788D.
@article{osti_1603799,
title = {Impact of intrinsic framework flexibility for selective adsorption of sarin in non-aqueous solvents using metal–organic frameworks},
author = {Park, Jongwoo and Agrawal, Mayank and Sava Gallis, Dorina F. and Harvey, Jacob A. and Greathouse, Jeffery A. and Sholl, David S.},
abstractNote = {We assess the nontrivial deviation in predicting the adsorption selectivity from bulk mixtures of complex molecules using nanoporous adsorbents approximated as rigid and intrinsically flexible.},
doi = {10.1039/C9CP06788D},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = [11],
volume = [22],
place = {United Kingdom},
year = {2020},
month = {3}
}

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