Polymers at Liquid/Vapor Interface
Abstract
Polymers confined to the liquid/vapor interface are studied using molecular dynamics simulations. We show that for polymers which are weakly immiscible with the solvent, the density profile perpendicular to the liquid/vapor interface is strongly asymmetric. On the vapor side of the interface, the density distribution falls off as a Gaussian with a decay length on the order of the bead diameter, whereas on the liquid side, the density profile decays as a simple exponential. This result differs from that of a polymer absorbed from a good solvent with the density profile decaying as a power law. In conclusion, as the surface coverage increases, the average end-to-end distance and chain mobility systematically decreases toward that of the homopolymer melt.
- Authors:
-
[1]
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Univ. of North Carolina, Chapel Hill, NC (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:
- 1482733
- Report Number(s):
- SAND-2018-12229J
Journal ID: ISSN 2161-1653; 669140
- Grant/Contract Number:
- AC04-94AL85000
- Resource Type:
- Accepted Manuscript
- Journal Name:
- ACS Macro Letters
- Additional Journal Information:
- Journal Volume: 6; Journal Issue: 11; Journal ID: ISSN 2161-1653
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Peters, Brandon L., Pike, Darin Q., Rubinstein, Michael, and Grest, Gary S. Polymers at Liquid/Vapor Interface. United States: N. p., 2017.
Web. doi:10.1021/acsmacrolett.7b00466.
Peters, Brandon L., Pike, Darin Q., Rubinstein, Michael, & Grest, Gary S. Polymers at Liquid/Vapor Interface. United States. https://doi.org/10.1021/acsmacrolett.7b00466
Peters, Brandon L., Pike, Darin Q., Rubinstein, Michael, and Grest, Gary S. Wed .
"Polymers at Liquid/Vapor Interface". United States. https://doi.org/10.1021/acsmacrolett.7b00466. https://www.osti.gov/servlets/purl/1482733.
@article{osti_1482733,
title = {Polymers at Liquid/Vapor Interface},
author = {Peters, Brandon L. and Pike, Darin Q. and Rubinstein, Michael and Grest, Gary S.},
abstractNote = {Polymers confined to the liquid/vapor interface are studied using molecular dynamics simulations. We show that for polymers which are weakly immiscible with the solvent, the density profile perpendicular to the liquid/vapor interface is strongly asymmetric. On the vapor side of the interface, the density distribution falls off as a Gaussian with a decay length on the order of the bead diameter, whereas on the liquid side, the density profile decays as a simple exponential. This result differs from that of a polymer absorbed from a good solvent with the density profile decaying as a power law. In conclusion, as the surface coverage increases, the average end-to-end distance and chain mobility systematically decreases toward that of the homopolymer melt.},
doi = {10.1021/acsmacrolett.7b00466},
journal = {ACS Macro Letters},
number = 11,
volume = 6,
place = {United States},
year = {2017},
month = {10}
}
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journal, December 2018
- Xiang, Wenjun; Zhu, Zhaoju; Zhou, Lvshan
- Macromolecular Theory and Simulations, Vol. 28, Issue 2
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