Diffusion of Selective Penetrants in Interfacially Modified Block Copolymers from Molecular Dynamics Simulations

Seo, Youngmi; Brown, Jonathan R.; Hall, Lisa M.

doi:10.1021/acsmacrolett.7b00023

Title: Diffusion of Selective Penetrants in Interfacially Modified Block Copolymers from Molecular Dynamics Simulations

Abstract

In order to show the influence of the interface on structure and dynamics of microphase separated polymer systems, we study interfacially modified AB block copolymers with small molecule penetrants. The polymers have a random midblock or tapered midblock whose composition varies from pure A to pure B (or from pure B to pure A for an inverse taper) between two pure blocks of A and B. We perform simple coarse-grained molecular dynamics simulations of symmetric polymers that form lamellae. With normal tapering, both polymer and penetrant diffusion parallel to the lamellae increases as taper length increases. Inverse tapered polymers exist in different conformational states (e.g. stretched versus folded back and forth across the interface) with different dynamic behavior, leading to non-monotonic trends in their diffusion. However, the local mixing of monomers (rather than polymer conformation) appears to be the most important factor in determining penetrant diffusion.

Authors:

Seo, Youngmi ^[1]; Brown, Jonathan R. ^[1];

^[1]

The Ohio State Univ., Columbus, OH (United States). William G. Lowrie Dept. of Chemical and Biomolecular Engineering

Publication Date:: Wed Mar 22 00:00:00 EDT 2017

Research Org.:: The Ohio State Univ., Columbus, OH (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

OSTI Identifier:: 1468581

Grant/Contract Number:: SC0014458; 1454343; SC0014209

Resource Type:: Accepted Manuscript

Journal Name:: ACS Macro Letters

Additional Journal Information:: Journal Volume: 6; Journal Issue: 4; Journal ID: ISSN 2161-1653

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Seo, Youngmi, Brown, Jonathan R., and Hall, Lisa M. Diffusion of Selective Penetrants in Interfacially Modified Block Copolymers from Molecular Dynamics Simulations.  United States: N. p., 2017. 
Web.  doi:10.1021/acsmacrolett.7b00023.

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                    Seo, Youngmi, Brown, Jonathan R., & Hall, Lisa M. Diffusion of Selective Penetrants in Interfacially Modified Block Copolymers from Molecular Dynamics Simulations.  United States.  https://doi.org/10.1021/acsmacrolett.7b00023

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                    Seo, Youngmi, Brown, Jonathan R., and Hall, Lisa M. Wed .  
"Diffusion of Selective Penetrants in Interfacially Modified Block Copolymers from Molecular Dynamics Simulations".  United States.  https://doi.org/10.1021/acsmacrolett.7b00023.  https://www.osti.gov/servlets/purl/1468581.

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@article{osti_1468581,

  title        = {Diffusion of Selective Penetrants in Interfacially Modified Block Copolymers from Molecular Dynamics Simulations},

  author       = {Seo, Youngmi and Brown, Jonathan R. and Hall, Lisa M.},

  abstractNote = {In order to show the influence of the interface on structure and dynamics of microphase separated polymer systems, we study interfacially modified AB block copolymers with small molecule penetrants. The polymers have a random midblock or tapered midblock whose composition varies from pure A to pure B (or from pure B to pure A for an inverse taper) between two pure blocks of A and B. We perform simple coarse-grained molecular dynamics simulations of symmetric polymers that form lamellae. With normal tapering, both polymer and penetrant diffusion parallel to the lamellae increases as taper length increases. Inverse tapered polymers exist in different conformational states (e.g. stretched versus folded back and forth across the interface) with different dynamic behavior, leading to non-monotonic trends in their diffusion. However, the local mixing of monomers (rather than polymer conformation) appears to be the most important factor in determining penetrant diffusion.},

  doi          = {10.1021/acsmacrolett.7b00023},

  journal      = {ACS Macro Letters},

  number       = 4,

  volume       = 6,

  place        = {United States},

  year         = {Wed Mar 22 00:00:00 EDT 2017},

  month        = {Wed Mar 22 00:00:00 EDT 2017}

}

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https://doi.org/10.1021/acsmacrolett.7b00023

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Works referenced in this record:

Gas permeation properties of poly(ether imide) segmented copolymers
journal, September 1995

Okamoto, Ken-ichi; Fuji, Masafumi; Okamyo, Shuusaku
Macromolecules, Vol. 28, Issue 20
DOI: 10.1021/ma00124a035

Charge Separation at Self-Assembled Nanostructured Bulk Interface in Block Copolymers
journal, May 2006

Lindner, Stefan M.; Hüttner, Sven; Chiche, Arnaud
Angewandte Chemie International Edition, Vol. 45, Issue 20
DOI: 10.1002/anie.200503958

Block Copolymers for Fuel Cells
journal, January 2011

Elabd, Yossef A.; Hickner, Michael A.
Macromolecules, Vol. 44, Issue 1
DOI: 10.1021/ma101247c

Effect of Molecular Weight and Salt Concentration on Conductivity of Block Copolymer Electrolytes
journal, July 2009

Panday, Ashoutosh; Mullin, Scott; Gomez, Enrique D.
Macromolecules, Vol. 42, Issue 13
DOI: 10.1021/ma900451e

Anisotropic ion transport in nanostructured solid polymer electrolytes
journal, January 2015

Cheng, Shan; Smith, Derrick M.; Pan, Qiwei
RSC Advances, Vol. 5, Issue 60
DOI: 10.1039/C5RA05240H

Effect of Molecular Weight on the Mechanical and Electrical Properties of Block Copolymer Electrolytes
journal, June 2007

Singh, Mohit; Odusanya, Omolola; Wilmes, Gregg M.
Macromolecules, Vol. 40, Issue 13
DOI: 10.1021/ma0629541

Effect of Ion Distribution on Conductivity of Block Copolymer Electrolytes
journal, March 2009

Gomez, Enrique D.; Panday, Ashoutosh; Feng, Edward H.
Nano Letters, Vol. 9, Issue 3
DOI: 10.1021/nl900091n

Ionic Conductivity of Low Molecular Weight Block Copolymer Electrolytes
journal, January 2013

Yuan, Rodger; Teran, Alexander A.; Gurevitch, Inna
Macromolecules, Vol. 46, Issue 3
DOI: 10.1021/ma3024552

Mechanisms Underlying Ion Transport in Lamellar Block Copolymer Membranes
journal, March 2012

Ganesan, Venkat; Pyramitsyn, Victor; Bertoni, Colleen
ACS Macro Letters, Vol. 1, Issue 4
DOI: 10.1021/mz300051x

Structure and Properties of Tapered Block Polymers of Styrene and Isoprene
journal, July 1980

Tsukahara, Yasuhisa; Nakamura, Norikazu; Hashimoto, Takeji
Polymer Journal, Vol. 12, Issue 7
DOI: 10.1295/polymj.12.455

Structure and properties of tapered block polymers. 4. "Domain-boundary mixing" and "mixing-in-domain" effects on microdomain morphology and linear dynamic mechanical response
journal, July 1983

Hashimoto, Takeji; Tsukahara, Yasuhisa; Tachi, Kazuhisa
Macromolecules, Vol. 16, Issue 4
DOI: 10.1021/ma00238a031

Structure and Properties of Tapered Block Polymers of Styrene and Isoprene II. Dynamic Mechanical Responses and Their Structural Interpretations
journal, October 1983

Hashimoto, Takeji; Tsukahara, Yasuhisa; Kawai, Hiromichi
Polymer Journal, Vol. 15, Issue 10
DOI: 10.1295/polymj.15.699

Thermodynamic considerations of triblock copolymers with a random middle block
journal, October 1992

Zielinski, John M.; Spontak, Richard J.
Macromolecules, Vol. 25, Issue 22
DOI: 10.1021/ma00048a015

Copolymers with controlled distribution of comonomers along the chain, 1. Structure, thermodynamics and dynamic properties of gradient copolymers. Computer simulation
journal, September 1996

Pakula, Tadeusz; Matyjaszewski, Krzysztof
Macromolecular Theory and Simulations, Vol. 5, Issue 5
DOI: 10.1002/mats.1996.040050514

Microphase Separation in Normal and Inverse Tapered Block Copolymers of Polystyrene and Polyisoprene. 1. Phase State
journal, January 2001

Hodrokoukes, P.; Floudas, G.; Pispas, S.
Macromolecules, Vol. 34, Issue 3
DOI: 10.1021/ma001479i

Effect of block copolymers of various molecular architecture on the phase morphology and tensile properties of LDPE rich (LDPE/PS) blends
journal, February 2002

Harrats, C.
Polymer, Vol. 43, Issue 3
DOI: 10.1016/S0032-3861(01)00633-4

Controlling Micellar Properties of Styrene/Isoprene Copolymers by Altering the Monomer Arrangement along the Chain
journal, January 2002

Hodrokoukes, P.; Pispas, S.; Hadjichristidis, N.
Macromolecules, Vol. 35, Issue 3
DOI: 10.1021/ma011331e

Manipulating ordering transitions in interfacially modified block copolymers
journal, January 2009

Singh, Nripen; Tureau, Maëva S.; Epps, III, Thomas H.
Soft Matter, Vol. 5, Issue 23
DOI: 10.1039/b908739g

Influence of interfacial structure on morphology and deformation behavior of SBS block copolymers
journal, February 2003

Huy, Trinh An; Hai, Le Hong; Adhikari, Rameshwar
Polymer, Vol. 44, Issue 4
DOI: 10.1016/S0032-3861(02)00630-4

Double-Gyroid Network Morphology in Tapered Diblock Copolymers
journal, May 2011

Roy, Raghunath; Park, Jong Keun; Young, Wen-Shiue
Macromolecules, Vol. 44, Issue 10
DOI: 10.1021/ma1025847

Design and Synthesis of Network-Forming Triblock Copolymers Using Tapered Block Interfaces
journal, March 2012

Kuan, Wei-Fan; Roy, Raghunath; Rong, Lixia
ACS Macro Letters, Vol. 1, Issue 4
DOI: 10.1021/mz3000804

Phase Behavior of Tapered Diblock Copolymers from Self-Consistent Field Theory
journal, November 2013

Brown, Jonathan R.; Sides, Scott W.; Hall, Lisa M.
ACS Macro Letters, Vol. 2, Issue 12
DOI: 10.1021/mz400546h

Interfacial Manipulations: Controlling Nanoscale Assembly in Bulk, Thin Film, and Solution Block Copolymer Systems
journal, February 2013

Mastroianni, Sarah E.; Epps, Thomas H.
Langmuir, Vol. 29, Issue 12
DOI: 10.1021/la304800t

Using tapered interfaces to manipulate nanoscale morphologies in ion-doped block polymers
journal, May 2015

Kuan, Wei-Fan; Reed, Ellen H.; Nguyen, Ngoc A.
MRS Communications, Vol. 5, Issue 2
DOI: 10.1557/mrc.2015.19

Fluids density functional theory and initializing molecular dynamics simulations of block copolymers
journal, March 2016

Brown, Jonathan R.; Seo, Youngmi; Maula, Tiara Ann D.
The Journal of Chemical Physics, Vol. 144, Issue 12
DOI: 10.1063/1.4943982

Effect of Tapering on Morphology and Interfacial Behavior of Diblock Copolymers from Molecular Dynamics Simulations
journal, July 2015

Seo, Youngmi; Brown, Jonathan R.; Hall, Lisa M.
Macromolecules, Vol. 48, Issue 14
DOI: 10.1021/ma502309h

Effect of sequence dispersity on morphology of tapered diblock copolymers from molecular dynamics simulations
journal, December 2016

Levine, William G.; Seo, Youngmi; Brown, Jonathan R.
The Journal of Chemical Physics, Vol. 145, Issue 23
DOI: 10.1063/1.4972141

Efficient continuum model for simulating polymer blends and copolymers
journal, December 1996

Grest, Gary S.; Lacasse, Martin‐D.; Kremer, Kurt
The Journal of Chemical Physics, Vol. 105, Issue 23
DOI: 10.1063/1.472978

Blockiness and Sequence Polydispersity Effects on the Phase Behavior and Interfacial Properties of Gradient Copolymers
journal, July 2012

Ganesan, Venkat; Kumar, N. Arun; Pryamitsyn, Victor
Macromolecules, Vol. 45, Issue 15
DOI: 10.1021/ma301136y

Phase behavior of gradient copolymer solutions: a Monte Carlo simulation study
journal, January 2012

Pandav, Gunja; Pryamitsyn, Victor; Gallow, Keith C.
Soft Matter, Vol. 8, Issue 24
DOI: 10.1039/c2sm25577d

Effects of compositional polydispersity on gradient copolymer melts
journal, February 2013

Jiang, Run; Wang, Zheng; Yin, Yuhua
The Journal of Chemical Physics, Vol. 138, Issue 7
DOI: 10.1063/1.4792200

Effects of Ion Solvation on the Miscibility of Binary Polymer Blends ^†
journal, December 2008

Wang, Zhen-Gang
The Journal of Physical Chemistry B, Vol. 112, Issue 50
DOI: 10.1021/jp806897t

Ordering Transition in Salt-Doped Diblock Copolymers
journal, April 2016

Qin, Jian; de Pablo, Juan J.
Macromolecules, Vol. 49, Issue 9
DOI: 10.1021/acs.macromol.5b02643

First-Order Disordered-to-Lamellar Phase Transition in Lithium Salt-Doped Block Copolymers
journal, May 2013

Nakamura, Issei; Balsara, Nitash P.; Wang, Zhen-Gang
ACS Macro Letters, Vol. 2, Issue 6
DOI: 10.1021/mz4001404

High Charge Density Coacervate Assembly via Hybrid Monte Carlo Single Chain in Mean Field Theory
journal, December 2016

Lytle, Tyler K.; Radhakrishna, Mithun; Sing, Charles E.
Macromolecules, Vol. 49, Issue 24
DOI: 10.1021/acs.macromol.6b02159

Shape of unperturbed linear polymers: polypropylene
journal, November 1985

Theodorou, Doros N.; Suter, Ulrich W.
Macromolecules, Vol. 18, Issue 6
DOI: 10.1021/ma00148a028

The structure of random packings of freely jointed chains of tangent hard spheres
journal, April 2009

Karayiannis, Nikos Ch.; Foteinopoulou, Katerina; Laso, Manuel
The Journal of Chemical Physics, Vol. 130, Issue 16
DOI: 10.1063/1.3117903

Ionic Aggregate Structure in Ionomer Melts: Effect of Molecular Architecture on Aggregates and the Ionomer Peak
journal, December 2011

Hall, Lisa M.; Seitz, Michelle E.; Winey, Karen I.
Journal of the American Chemical Society, Vol. 134, Issue 1
DOI: 10.1021/ja209142b

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Title: Diffusion of Selective Penetrants in Interfacially Modified Block Copolymers from Molecular Dynamics Simulations

Abstract

Citation Formats

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