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This content will become publicly available on April 3, 2019

Title: C2 adsorption in zeolites: in silico screening and sensitivity to molecular models

Selective zeolitic frameworks for adsorptive separation of ethane and ethylene are identified using molecular modeling with improved force fields.
Authors:
ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [1] ; ORCiD logo [3]
  1. Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, USA
  2. Department of Chemistry and Chemical Theory Center, University of Minnesota, Minneapolis, USA
  3. Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, USA, Department of Chemistry and Chemical Theory Center
Publication Date:
Grant/Contract Number:
AC02-06CH11357; FG02–17ER16362
Type:
Publisher's Accepted Manuscript
Journal Name:
Molecular Systems Design & Engineering
Additional Journal Information:
Related Information: CHORUS Timestamp: 2018-04-20 04:59:19; Journal ID: ISSN 2058-9689
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1434156