Effect of homopolymer matrix on diblock copolymer grafted nanoparticle conformation and potential of mean force: A molecular simulation study

Estridge, Carla E.; Jayaraman, Arthi

doi:10.1002/polb.23637

Title: Effect of homopolymer matrix on diblock copolymer grafted nanoparticle conformation and potential of mean force: A molecular simulation study

Abstract

ABSTRACT We study the effect of homopolymer A or B matrix on the conformations and effective interactions of AB diblock copolymer grafted particles using coarse‐grained molecular dynamics simulations. In an A homopolymer matrix we observe patchy conformations within the AB diblock copolymer grafted layer, where the number of B patches is controlled by the A‐A attractive interaction strength. In a B homopolymer matrix the grafted particle takes on a core‐corona conformation, where the inner A block aggregates near the particle surface and the outer B block forms a corona that interacts with the B matrix. The potential of mean force (PMF) between two particles in an A homopolymer matrix has a long‐ranged attractive well with a minima at intermediate distances corresponding to the location of the outer B block patches. The PMF between two particles in a B homopolymer matrix has an attractive well at short interparticle distances corresponding to the size of the inner A block. We isolate the contribution of the homopolymer matrix on the PMF between the two diblock copolymer grafted particles, by deducting the PMF in the absence of a matrix, assuming the contributions of the grafted particle and matrix to the PMF to be additive.more »« less

Authors:

Estridge, Carla E. ^[1]; Jayaraman, Arthi ^[2]

Department of Chemistry and Biochemistry University of Colorado Boulder Colorado 80309, Department of Chemical and Biomolecular Engineering University of Delaware Newark Delaware 19716
Department of Chemical and Biomolecular Engineering University of Delaware Newark Delaware 19716, Department of Materials Science and Engineering University of Delaware Newark Delaware 19716

Publication Date:: Wed Nov 19 00:00:00 EST 2014

Sponsoring Org.:: USDOE

OSTI Identifier:: 1401117

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Polymer Science. Part B, Polymer Physics

Additional Journal Information:: Journal Name: Journal of Polymer Science. Part B, Polymer Physics Journal Volume: 53 Journal Issue: 1; Journal ID: ISSN 0887-6266

Publisher:: Wiley Blackwell (John Wiley & Sons)

Country of Publication:: United States

Language:: English

Citation Formats


                    Estridge, Carla E., and Jayaraman, Arthi. Effect of homopolymer matrix on diblock copolymer grafted nanoparticle conformation and potential of mean force: A molecular simulation study.  United States: N. p., 2014. 
Web.  doi:10.1002/polb.23637.

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                    Estridge, Carla E., & Jayaraman, Arthi. Effect of homopolymer matrix on diblock copolymer grafted nanoparticle conformation and potential of mean force: A molecular simulation study.  United States.  https://doi.org/10.1002/polb.23637

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                    Estridge, Carla E., and Jayaraman, Arthi. Wed .  
"Effect of homopolymer matrix on diblock copolymer grafted nanoparticle conformation and potential of mean force: A molecular simulation study".  United States.  https://doi.org/10.1002/polb.23637.

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@article{osti_1401117,

  title        = {Effect of homopolymer matrix on diblock copolymer grafted nanoparticle conformation and potential of mean force: A molecular simulation study},

  author       = {Estridge, Carla E. and Jayaraman, Arthi},

  abstractNote = {ABSTRACT We study the effect of homopolymer A or B matrix on the conformations and effective interactions of AB diblock copolymer grafted particles using coarse‐grained molecular dynamics simulations. In an A homopolymer matrix we observe patchy conformations within the AB diblock copolymer grafted layer, where the number of B patches is controlled by the A‐A attractive interaction strength. In a B homopolymer matrix the grafted particle takes on a core‐corona conformation, where the inner A block aggregates near the particle surface and the outer B block forms a corona that interacts with the B matrix. The potential of mean force (PMF) between two particles in an A homopolymer matrix has a long‐ranged attractive well with a minima at intermediate distances corresponding to the location of the outer B block patches. The PMF between two particles in a B homopolymer matrix has an attractive well at short interparticle distances corresponding to the size of the inner A block. We isolate the contribution of the homopolymer matrix on the PMF between the two diblock copolymer grafted particles, by deducting the PMF in the absence of a matrix, assuming the contributions of the grafted particle and matrix to the PMF to be additive. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53 , 76–88},

  doi          = {10.1002/polb.23637},

  journal      = {Journal of Polymer Science. Part B, Polymer Physics},

  number       = 1,

  volume       = 53,

  place        = {United States},

  year         = {Wed Nov 19 00:00:00 EST 2014},

  month        = {Wed Nov 19 00:00:00 EST 2014}

}

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https://doi.org/10.1002/polb.23637

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Works referenced in this record:

General purpose molecular dynamics simulations fully implemented on graphics processing units
journal, May 2008

Anderson, Joshua A.; Lorenz, Chris D.; Travesset, A.
Journal of Computational Physics, Vol. 227, Issue 10
DOI: 10.1016/j.jcp.2008.01.047

On the Determination of Molecular Fields. I. From the Variation of the Viscosity of a Gas with Temperature
journal, October 1924

Jones, J. E.
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 106, Issue 738
DOI: 10.1098/rspa.1924.0081

PS/PMMA mixed polymer brushes on the surface of clay layers: Preparation and application in polymer blends
journal, January 2007

Zhang, Jian; Yang, Yongfang; Zhao, Chuanzhuang
Journal of Polymer Science Part A: Polymer Chemistry, Vol. 45, Issue 22
DOI: 10.1002/pola.22278

Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
journal, February 1977

Torrie, G. M.; Valleau, J. P.
Journal of Computational Physics, Vol. 23, Issue 2
DOI: 10.1016/0021-9991(77)90121-8

Theory and simulation studies of effective interactions, phase behavior and morphology in polymer nanocomposites
journal, January 2014

Ganesan, Venkat; Jayaraman, Arthi
Soft Matter, Vol. 10, Issue 1
DOI: 10.1039/C3SM51864G

Controllable nanostructural transitions in grafted nanoparticle-block copolymer composites
journal, April 2010

Xu, Guang-Kui; Feng, Xi-Qiao; Yu, Shou-Wen
Nano Research, Vol. 3, Issue 5
DOI: 10.1007/s12274-010-1039-8

Ordered Nanostructures Self-Assembled from Block Copolymer Tethered Nanoparticles
journal, August 2010

Zhu, Xiaomeng; Wang, Liquan; Lin, Jiaping
ACS Nano, Vol. 4, Issue 9
DOI: 10.1021/nn101121n

Dispersion of polymer-grafted magnetic nanoparticles in homopolymers and block copolymers
journal, July 2008

Xu, Chen; Ohno, Kohji; Ladmiral, Vincent
Polymer, Vol. 49, Issue 16
DOI: 10.1016/j.polymer.2008.05.040

Nanoparticle Surfactants as a Route to Bicontinuous Block Copolymer Morphologies
journal, July 2007

Kim, Bumjoon J.; Fredrickson, Glenn H.; Hawker, Craig J.
Langmuir, Vol. 23, Issue 14
DOI: 10.1021/la700507j

End grafted polymernanoparticles in a polymeric matrix: Effect of coverage and curvature
journal, January 2011

Kalb, Joshua; Dukes, Douglas; Kumar, Sanat K.
Soft Matter, Vol. 7, Issue 4
DOI: 10.1039/C0SM00725K

Self-Consistent PRISM Theory−Monte Carlo Simulation Studies of Copolymer Grafted Nanoparticles in a Homopolymer Matrix
journal, October 2010

Nair, Nitish; Jayaraman, Arthi
Macromolecules, Vol. 43, Issue 19
DOI: 10.1021/ma101229r

Assembly of diblock copolymer functionalized spherical nanoparticles as a function of copolymer composition
journal, April 2014

Estridge, Carla E.; Jayaraman, Arthi
The Journal of Chemical Physics, Vol. 140, Issue 14
DOI: 10.1063/1.4870592

Responsive Assemblies: Gold Nanoparticles with Mixed Ligands in Microphase Separated Block Copolymers
journal, April 2008

Li, Qifang; He, Jinbo; Glogowski, Elizabeth
Advanced Materials, Vol. 20, Issue 8
DOI: 10.1002/adma.200702004

THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method
journal, October 1992

Kumar, Shankar; Rosenberg, John M.; Bouzida, Djamal
Journal of Computational Chemistry, Vol. 13, Issue 8
DOI: 10.1002/jcc.540130812

Effective Interactions and Self-Assembly of Hybrid Polymer Grafted Nanoparticles in a Homopolymer Matrix
journal, November 2009

Jayaraman, Arthi; Schweizer, Kenneth S.
Macromolecules, Vol. 42, Issue 21
DOI: 10.1021/ma901631x

Block-Copolymer-Mediated Nanoparticle Dispersion and Assembly in Polymer Nanocomposites
journal, April 2014

Jouault, Nicolas; Lee, Danmi; Zhao, Dan
Advanced Materials, Vol. 26, Issue 24
DOI: 10.1002/adma.201305641

Mixed Polymer Brush-Grafted Particles: A New Class of Environmentally Responsive Nanostructured Materials
journal, December 2009

Zhao, Bin; Zhu, Lei
Macromolecules, Vol. 42, Issue 24
DOI: 10.1021/ma902042x

Morphology and interactions of polymer brush-coated spheres in a polymer matrix
journal, January 2006

Xu, Jiajing; Qiu, Feng; Zhang, Hongdong
Journal of Polymer Science Part B: Polymer Physics, Vol. 44, Issue 19
DOI: 10.1002/polb.20884

Effective interactions between grafted nanoparticles in a polymer matrix
journal, January 2012

Meng, Dong; Kumar, Sanat K.; D. Lane, J. Matthew
Soft Matter, Vol. 8, Issue 18
DOI: 10.1039/c2sm07395a

Self-directed self-assembly of nanoparticle/copolymer mixtures
journal, March 2005

Lin, Yao; Böker, Alexander; He, Jinbo
Nature, Vol. 434, Issue 7029
DOI: 10.1038/nature03310

Effect of monomer sequences on conformations of copolymers grafted on spherical nanoparticles: A Monte Carlo simulation study
journal, April 2010

Seifpour, Arezou; Spicer, Philip; Nair, Nitish
The Journal of Chemical Physics, Vol. 132, Issue 16
DOI: 10.1063/1.3385469

The structure of chain end-grafted nanoparticle/homopolymer nanocomposites
journal, January 2011

Green, Peter F.
Soft Matter, Vol. 7, Issue 18
DOI: 10.1039/c1sm05076a

Dispersing Nanoparticles in a Polymer Matrix: Are Long, Dense Polymer Tethers Really Necessary?
journal, October 2009

Smith, Grant D.; Bedrov, Dmitry
Langmuir, Vol. 25, Issue 19
DOI: 10.1021/la902329v

Interaction between particles suspended in solutions of macromolecules
journal, December 1958

Asakura, Sho; Oosawa, Fumio
Journal of Polymer Science, Vol. 33, Issue 126
DOI: 10.1002/pol.1958.1203312618

Dispersing hairy nanoparticles in polymer melts
journal, December 2008

Wang, Xiaorong; Foltz, Victor J.; Rackaitis, Mindaugas
Polymer, Vol. 49, Issue 26
DOI: 10.1016/j.polymer.2008.10.019

Assembly of copolymer functionalized nanoparticles: a Monte Carlo simulation study
journal, January 2011

Martin, Tyler B.; Seifpour, Arezou; Jayaraman, Arthi
Soft Matter, Vol. 7, Issue 13
DOI: 10.1039/c1sm05179b

Effect of blockiness in grafted monomer sequences on assembly of copolymer grafted nanoparticles: a Monte Carlo simulation study
journal, January 2013

Martin, Tyler B.; McKinney, Christopher; Jayaraman, Arthi
Soft Matter, Vol. 9, Issue 1
DOI: 10.1039/C2SM26611C

Photosensitizer-Loaded Gold Vesicles with Strong Plasmonic Coupling Effect for Imaging-Guided Photothermal/Photodynamic Therapy
journal, May 2013

Lin, Jing; Wang, Shouju; Huang, Peng
ACS Nano, Vol. 7, Issue 6
DOI: 10.1021/nn4011686

On the solution self-assembly of nanocolloidal brushes: insights from simulations
journal, September 2008

Striolo, Alberto
Nanotechnology, Vol. 19, Issue 44
DOI: 10.1088/0957-4484/19/44/445606

Emerging applications of stimuli-responsive polymer materials
journal, January 2010

Stuart, Martien A. Cohen; Huck, Wilhelm T. S.; Genzer, Jan
Nature Materials, Vol. 9, Issue 2, p. 101-113
DOI: 10.1038/nmat2614

Nanocomposites with Polymer Grafted Nanoparticles
journal, April 2013

Kumar, Sanat K.; Jouault, Nicolas; Benicewicz, Brian
Macromolecules, Vol. 46, Issue 9
DOI: 10.1021/ma4001385

Position transitions of polymer-grafted nanoparticles in diblock-copolymer nanocomposites
journal, January 2011

Xu, G. K.; Feng, X. Q.
Express Polymer Letters, Vol. 5, Issue 4
DOI: 10.3144/expresspolymlett.2011.36

Environmentally Responsive “Hairy” Nanoparticles: Mixed Homopolymer Brushes on Silica Nanoparticles Synthesized by Living Radical Polymerization Techniques
journal, May 2005

Li, Dejin; Sheng, Xia; Zhao, Bin
Journal of the American Chemical Society, Vol. 127, Issue 17
DOI: 10.1021/ja0422561

Surface-induced phase transitions in dense nanoparticle arrays of lamella-forming diblock copolymers
journal, October 2010

Li, Shiben; Ji, Yongyun; Chen, Peng
Polymer, Vol. 51, Issue 21
DOI: 10.1016/j.polymer.2010.08.019

The calculation of the potential of mean force using computer simulations
journal, September 1995

Roux, Benoît
Computer Physics Communications, Vol. 91, Issue 1-3
DOI: 10.1016/0010-4655(95)00053-I

Rigid body constraints realized in massively-parallel molecular dynamics on graphics processing units
journal, November 2011

Nguyen, Trung Dac; Phillips, Carolyn L.; Anderson, Joshua A.
Computer Physics Communications, Vol. 182, Issue 11
DOI: 10.1016/j.cpc.2011.06.005

Polymer grafted nanoparticles: Effect of chemical and physical heterogeneity in polymer grafts on particle assembly and dispersion
journal, February 2013

Jayaraman, Arthi
Journal of Polymer Science Part B: Polymer Physics, Vol. 51, Issue 7
DOI: 10.1002/polb.23260

Perturbation Theory of the Thermodynamic Properties of Simple Liquids
journal, December 1971

Weeks, John D.; Chandler, David; Andersen, Hans C.
The Journal of Chemical Physics, Vol. 55, Issue 11
DOI: 10.1063/1.1675700

Influence of nanoparticle–polymer interactions on the apparent migration behaviour of carbon nanotubes in an immiscible polymer blend
journal, September 2011

Tao, Fangfang; Nysten, Bernard; Baudouin, Anne-Christine
Polymer, Vol. 52, Issue 21
DOI: 10.1016/j.polymer.2011.08.035

On Interaction between Two Bodies Immersed in a Solution of Macromolecules
journal, July 1954

Asakura, Sho; Oosawa, Fumio
The Journal of Chemical Physics, Vol. 22, Issue 7
DOI: 10.1063/1.1740347

Effect of Polymer Ligand Molecular Weight on Polymer-Coated Nanoparticle Location in Block Copolymers
journal, January 2008

Kim, Bumjoon J.; Fredrickson, Glenn H.; Kramer, Edward J.
Macromolecules, Vol. 41, Issue 2
DOI: 10.1021/ma701931z

Self-consistent field theory for diblock copolymers grafted to a sphere
journal, January 2011

Vorselaars, Bart; Kim, Jaeup U.; Chantawansri, Tanya L.
Soft Matter, Vol. 7, Issue 11
DOI: 10.1039/c0sm01242d

Mean-field theoretical analysis of brush-coated nanoparticle dispersion in polymer matrices
journal, January 2008

Harton, Shane E.; Kumar, Sanat K.
Journal of Polymer Science Part B: Polymer Physics, Vol. 46, Issue 4
DOI: 10.1002/polb.21346

Dynamics of entangled linear polymer melts: A molecular‐dynamics simulation
journal, April 1990

Kremer, Kurt; Grest, Gary S.
The Journal of Chemical Physics, Vol. 92, Issue 8
DOI: 10.1063/1.458541

Phase behavior of ditethered nanospheres
journal, January 2009

Iacovella, Christopher R.; Glotzer, Sharon C.
Soft Matter, Vol. 5, Issue 22
DOI: 10.1039/b909669h

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Title: Effect of homopolymer matrix on diblock copolymer grafted nanoparticle conformation and potential of mean force: A molecular simulation study

Abstract

Citation Formats

General purpose molecular dynamics simulations fully implemented on graphics processing units journal, May 2008

On the Determination of Molecular Fields. I. From the Variation of the Viscosity of a Gas with Temperature journal, October 1924

PS/PMMA mixed polymer brushes on the surface of clay layers: Preparation and application in polymer blends journal, January 2007

Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling journal, February 1977

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Environmentally Responsive “Hairy” Nanoparticles: Mixed Homopolymer Brushes on Silica Nanoparticles Synthesized by Living Radical Polymerization Techniques journal, May 2005

Surface-induced phase transitions in dense nanoparticle arrays of lamella-forming diblock copolymers journal, October 2010

The calculation of the potential of mean force using computer simulations journal, September 1995

Rigid body constraints realized in massively-parallel molecular dynamics on graphics processing units journal, November 2011

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Perturbation Theory of the Thermodynamic Properties of Simple Liquids journal, December 1971

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THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method
journal, October 1992

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journal, April 2010

The structure of chain end-grafted nanoparticle/homopolymer nanocomposites
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Dispersing hairy nanoparticles in polymer melts
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Environmentally Responsive “Hairy” Nanoparticles: Mixed Homopolymer Brushes on Silica Nanoparticles Synthesized by Living Radical Polymerization Techniques
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journal, September 1995

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journal, November 2011

Polymer grafted nanoparticles: Effect of chemical and physical heterogeneity in polymer grafts on particle assembly and dispersion
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Perturbation Theory of the Thermodynamic Properties of Simple Liquids
journal, December 1971

Influence of nanoparticle–polymer interactions on the apparent migration behaviour of carbon nanotubes in an immiscible polymer blend
journal, September 2011

On Interaction between Two Bodies Immersed in a Solution of Macromolecules
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Dynamics of entangled linear polymer melts: A molecular‐dynamics simulation
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