Polymers at Liquid/Vapor Interface

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

doi:10.1021/acsmacrolett.7b00466

Title: 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:

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)

Publication Date:: 2017-10-11

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.

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                    Peters, Brandon L., Pike, Darin Q., Rubinstein, Michael, & Grest, Gary S. Polymers at Liquid/Vapor Interface.  United States.  doi:https://doi.org/10.1021/acsmacrolett.7b00466

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                    Peters, Brandon L., Pike, Darin Q., Rubinstein, Michael, and Grest, Gary S. Wed .  
        "Polymers at Liquid/Vapor Interface".  United States.  doi:https://doi.org/10.1021/acsmacrolett.7b00466.  https://www.osti.gov/servlets/purl/1482733.

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@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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DOI: https://doi.org/10.1021/acsmacrolett.7b00466

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Works referencing / citing this record:

Networked Nanogels from Self-Assembly of End-Functionalized Polymers at the Vapor/Liquid Interface: Molecular Dynamics Simulations
journal, December 2018

Xiang, Wenjun; Zhu, Zhaoju; Zhou, Lvshan
Macromolecular Theory and Simulations, Vol. 28, Issue 2
DOI: 10.1002/mats.201800052

A simulation study on the glass transition behavior and relevant segmental dynamics in free-standing polymer nanocomposite films
journal, January 2019

Li, Shu-Jia; Qian, Hu-Jun; Lu, Zhong-Yuan
Soft Matter, Vol. 15, Issue 22
DOI: 10.1039/c9sm00267g

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Title: Polymers at Liquid/Vapor Interface

Abstract

Citation Formats

Networked Nanogels from Self-Assembly of End-Functionalized Polymers at the Vapor/Liquid Interface: Molecular Dynamics Simulations journal, December 2018

A simulation study on the glass transition behavior and relevant segmental dynamics in free-standing polymer nanocomposite films journal, January 2019

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journal, December 2018

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journal, January 2019