Polymers at Liquid/Vapor Interface

Peters, Brandon L.; Pike, Darin Q.; Rubinstein, Michael; Grest, Gary S.

doi:10.1021/acsmacrolett.7b00466

Polymers at Liquid/Vapor Interface

Journal Article · Wed Oct 11 00:00:00 EDT 2017 · ACS Macro Letters

DOI:https://doi.org/10.1021/acsmacrolett.7b00466· OSTI ID:1482733

Peters, Brandon L. ^[1]; Pike, Darin Q. ^[1]; Rubinstein, Michael ^[2]; ^[1]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Univ. of North Carolina, Chapel Hill, NC (United States)

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.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1482733

Report Number(s):: SAND--2018-12229J; 669140

Journal Information:: ACS Macro Letters, Journal Name: ACS Macro Letters Journal Issue: 11 Vol. 6; ISSN 2161-1653

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited By (3)

Networked Nanogels from Self-Assembly of End-Functionalized Polymers at the Vapor/Liquid Interface: Molecular Dynamics Simulations Xiang, Wenjun; Zhu, Zhaoju; Zhou, Lvshan Macromolecular Theory and Simulations, Vol. 28, Issue 2 https://doi.org/10.1002/mats.201800052	journal	December 2018
Networked Nanogels from Self-Assembly of End-Functionalized Polymers at the Vapor/Liquid Interface: Molecular Dynamics Simulations Xiang, Wenjun; Zhu, Zhaoju; Zhou, Lvshan Macromolecular Theory and Simulations, Vol. 28, Issue 2 https://doi.org/10.1002/mats.201970003	journal	March 2019
A simulation study on the glass transition behavior and relevant segmental dynamics in free-standing polymer nanocomposite films Li, Shu-Jia; Qian, Hu-Jun; Lu, Zhong-Yuan Soft Matter, Vol. 15, Issue 22 https://doi.org/10.1039/c9sm00267g	journal	January 2019

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