Dispersing nanoparticles in a polymer film via solvent evaporation
Abstract
Large-scale molecular dynamics simulations are used to study the dispersion of nanoparticles (NPs) in a polymer film during solvent evaporation. As the solvent evaporates, a dense polymer-rich skin layer forms at the liquid/vapor interface, which is either NP rich or poor depending on the strength of the NP/polymer interaction. When the NPs are strongly wet by the polymer, the NPs accumulate at the interface and form layers. However, when the NPs are only partially wet by the polymer, most NPs are uniformly distributed in the bulk of the polymer film, with the dense skin layer serving as a barrier to prevent the NPs from moving to the interface. Furthermore, our results point to a possible route to employ less favorable NP/polymer interactions and fast solvent evaporation to uniformly disperse NPs in a polymer film, contrary to the common belief that strong NP/polymer attractions are needed to make NPs well dispersed in polymer nanocomposites.
- Authors:
-
- Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1263596
- Report Number(s):
- SAND-2016-4785J
Journal ID: ISSN 2161-1653; 644871
- Grant/Contract Number:
- AC04-94AL85000
- Resource Type:
- Accepted Manuscript
- Journal Name:
- ACS Macro Letters
- Additional Journal Information:
- Journal Volume: 5; Journal Issue: 6; Journal ID: ISSN 2161-1653
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Cheng, Shengfeng, and Grest, Gary S. Dispersing nanoparticles in a polymer film via solvent evaporation. United States: N. p., 2016.
Web. doi:10.1021/acsmacrolett.6b00263.
Cheng, Shengfeng, & Grest, Gary S. Dispersing nanoparticles in a polymer film via solvent evaporation. United States. https://doi.org/10.1021/acsmacrolett.6b00263
Cheng, Shengfeng, and Grest, Gary S. Thu .
"Dispersing nanoparticles in a polymer film via solvent evaporation". United States. https://doi.org/10.1021/acsmacrolett.6b00263. https://www.osti.gov/servlets/purl/1263596.
@article{osti_1263596,
title = {Dispersing nanoparticles in a polymer film via solvent evaporation},
author = {Cheng, Shengfeng and Grest, Gary S.},
abstractNote = {Large-scale molecular dynamics simulations are used to study the dispersion of nanoparticles (NPs) in a polymer film during solvent evaporation. As the solvent evaporates, a dense polymer-rich skin layer forms at the liquid/vapor interface, which is either NP rich or poor depending on the strength of the NP/polymer interaction. When the NPs are strongly wet by the polymer, the NPs accumulate at the interface and form layers. However, when the NPs are only partially wet by the polymer, most NPs are uniformly distributed in the bulk of the polymer film, with the dense skin layer serving as a barrier to prevent the NPs from moving to the interface. Furthermore, our results point to a possible route to employ less favorable NP/polymer interactions and fast solvent evaporation to uniformly disperse NPs in a polymer film, contrary to the common belief that strong NP/polymer attractions are needed to make NPs well dispersed in polymer nanocomposites.},
doi = {10.1021/acsmacrolett.6b00263},
journal = {ACS Macro Letters},
number = 6,
volume = 5,
place = {United States},
year = {Thu May 19 00:00:00 EDT 2016},
month = {Thu May 19 00:00:00 EDT 2016}
}
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