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Title: Molecular Modeling Approach to Determine the Flory-Huggins Interaction Parameter for Polymer Miscibility Analysis

Authors:
 [1] ;  [1] ;  [1] ;  [1] ;  [1] ; ORCiD logo [2]
  1. Computational NanoBio Technology Laboratory, School of Materials Science and Engineering, Georgia Institute of Technology, 771 Ferst Drive NW Atlanta, GA 30332-0245 USA
  2. Computational NanoBio Technology Laboratory, School of Materials Science and Engineering, Georgia Institute of Technology, 771 Ferst Drive NW Atlanta, GA 30332-0245 USA, Institute for Electronics and Nanotechnology, Georgia Institute of Technology, Atlanta, GA USA, Parker H. Petit Institute for Bioengineering and Bioscience, Georgia Institute of Technology, Atlanta, GA USA
Publication Date:
Grant/Contract Number:
FG02-03ER15459
Type:
Publisher's Accepted Manuscript
Journal Name:
ChemPhysChem
Additional Journal Information:
Journal Name: ChemPhysChem Journal Volume: 19 Journal Issue: 13; Journal ID: ISSN 1439-4235
Publisher:
Wiley Blackwell (John Wiley & Sons)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
Germany
Language:
English
OSTI Identifier:
1434553

Callaway, Connor P., Hendrickson, Kayla, Bond, Nicholas, Lee, Seung Min, Sood, Parveen, and Jang, Seung Soon. Molecular Modeling Approach to Determine the Flory-Huggins Interaction Parameter for Polymer Miscibility Analysis. Germany: N. p., Web. doi:10.1002/cphc.201701337.
Callaway, Connor P., Hendrickson, Kayla, Bond, Nicholas, Lee, Seung Min, Sood, Parveen, & Jang, Seung Soon. Molecular Modeling Approach to Determine the Flory-Huggins Interaction Parameter for Polymer Miscibility Analysis. Germany. doi:10.1002/cphc.201701337.
Callaway, Connor P., Hendrickson, Kayla, Bond, Nicholas, Lee, Seung Min, Sood, Parveen, and Jang, Seung Soon. 2018. "Molecular Modeling Approach to Determine the Flory-Huggins Interaction Parameter for Polymer Miscibility Analysis". Germany. doi:10.1002/cphc.201701337.
@article{osti_1434553,
title = {Molecular Modeling Approach to Determine the Flory-Huggins Interaction Parameter for Polymer Miscibility Analysis},
author = {Callaway, Connor P. and Hendrickson, Kayla and Bond, Nicholas and Lee, Seung Min and Sood, Parveen and Jang, Seung Soon},
abstractNote = {},
doi = {10.1002/cphc.201701337},
journal = {ChemPhysChem},
number = 13,
volume = 19,
place = {Germany},
year = {2018},
month = {4}
}

Works referenced in this record:

DREIDING: a generic force field for molecular simulations
journal, December 1990
  • Mayo, Stephen L.; Olafson, Barry D.; Goddard, William A.
  • The Journal of Physical Chemistry, Vol. 94, Issue 26, p. 8897-8909
  • DOI: 10.1021/j100389a010