Dispersion and Aggregation of Polymer Grafted Particles in Polymer Nanocomposites Driven by the Hardness and Size of the Grafted Layer Tuned by Attractive Graft–Matrix Interactions

Kulshreshtha, Arjita; Jayaraman, Arthi

doi:10.1021/acs.macromol.9b02587

Title: Dispersion and Aggregation of Polymer Grafted Particles in Polymer Nanocomposites Driven by the Hardness and Size of the Grafted Layer Tuned by Attractive Graft–Matrix Interactions

Journal Article · Fri Feb 07 00:00:00 EST 2020 · Macromolecules

DOI:https://doi.org/10.1021/acs.macromol.9b02587· OSTI ID:1803155

Kulshreshtha, Arjita ^[1];

^[2]

Department of Chemical and Biomolecular Engineering, University of Delaware, 150 Academy Street, Colburn Laboratory, Newark. Delaware 19716, United States
Department of Chemical and Biomolecular Engineering, University of Delaware, 150 Academy Street, Colburn Laboratory, Newark. Delaware 19716, United States; Department of Materials Science and Engineering, University of Delaware, Newark, Delaware 19716, United States

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Research Organization:: Univ. of Delaware, Newark, DE (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0017753

OSTI ID:: 1803155

Journal Information:: Macromolecules, Vol. 53, Issue 4; ISSN 0024-9297

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

References (69)

Nanoparticle Polymer Composites: Where Two Small Worlds Meet Balazs, A. C.; Emrick, T.; Russell, T. P. Science, Vol. 314, Issue 5802, p. 1107-1110 https://doi.org/10.1126/science.1130557	journal	November 2006
Polymer nanocomposites: A small part of the story Schadler, L. S.; Brinson, L. C.; Sawyer, W. G. JOM, Vol. 59, Issue 3 https://doi.org/10.1007/s11837-007-0040-5	journal	March 2007
Polymer Nanocomposites Winey, Karen I.; Vaia, Richard A. MRS Bulletin, Vol. 32, Issue 4 https://doi.org/10.1557/mrs2007.229	journal	April 2007
How Nano Are Nanocomposites? Schaefer, Dale W.; Justice, Ryan S. Macromolecules, Vol. 40, Issue 24 https://doi.org/10.1021/ma070356w	journal	November 2007
Polymer nanocomposites Krishnamoorti, Ramanan; Vaia, Richard A. Journal of Polymer Science Part B: Polymer Physics, Vol. 45, Issue 24 https://doi.org/10.1002/polb.21319	journal	January 2007
Molecular theories of polymer nanocomposites Hall, Lisa M.; Jayaraman, Arthi; Schweizer, Kenneth S. Current Opinion in Solid State and Materials Science, Vol. 14, Issue 2 https://doi.org/10.1016/j.cossms.2009.08.004	journal	April 2010
Nanocomposites: Structure, Phase Behavior, and Properties Kumar, Sanat K.; Krishnamoorti, Ramanan Annual Review of Chemical and Biomolecular Engineering, Vol. 1, Issue 1 https://doi.org/10.1146/annurev-chembioeng-073009-100856	journal	June 2010
Hairy nanoparticle assemblies as one-component functional polymer nanocomposites: opportunities and challenges Fernandes, Nikhil J.; Koerner, Hilmar; Giannelis, Emmanuel P. MRS Communications, Vol. 3, Issue 1 https://doi.org/10.1557/mrc.2013.9	journal	March 2013
25th Anniversary Article: Polymer-Particle Composites: Phase Stability and Applications in Electrochemical Energy Storage Srivastava, Samanvaya; Schaefer, Jennifer L.; Yang, Zichao Advanced Materials, Vol. 26, Issue 2 https://doi.org/10.1002/adma.201303070	journal	December 2013
Theory and simulation studies of effective interactions, phase behavior and morphology in polymer nanocomposites Ganesan, Venkat; Jayaraman, Arthi Soft Matter, Vol. 10, Issue 1 https://doi.org/10.1039/C3SM51864G	journal	January 2014
50th Anniversary Perspective : Are Polymer Nanocomposites Practical for Applications? Kumar, Sanat K.; Benicewicz, Brian C.; Vaia, Richard A. Macromolecules, Vol. 50, Issue 3 https://doi.org/10.1021/acs.macromol.6b02330	journal	January 2017
Perspective: Outstanding theoretical questions in polymer-nanoparticle hybrids Kumar, Sanat K.; Ganesan, Venkat; Riggleman, Robert A. The Journal of Chemical Physics, Vol. 147, Issue 2 https://doi.org/10.1063/1.4990501	journal	July 2017
A review on the very high nanofiller-content nanocomposites: Their preparation methods and properties with high aspect ratio fillers George, Jeffrey; Ishida, Hatsuo Progress in Polymer Science, Vol. 86 https://doi.org/10.1016/j.progpolymsci.2018.07.006	journal	November 2018
Structure–property relationships of polymer-grafted nanospheres for designing advanced nanocomposites Lenart, William R.; Hore, Michael J. A. Nano-Structures & Nano-Objects, Vol. 16 https://doi.org/10.1016/j.nanoso.2017.11.005	journal	October 2018
Polymers on nanoparticles: structure & dynamics Hore, Michael J. A. Soft Matter, Vol. 15, Issue 6 https://doi.org/10.1039/C8SM02110D	journal	January 2019
Structural and mechanical properties of polymer nanocomposites Tjong, S. C. Materials Science and Engineering: R: Reports, Vol. 53, Issue 3-4 https://doi.org/10.1016/j.mser.2006.06.001	journal	August 2006
Polymer Nanocomposites with Prescribed Morphology: Going beyond Nanoparticle-Filled Polymers Vaia, Richard A.; Maguire, John F. Chemistry of Materials, Vol. 19, Issue 11 https://doi.org/10.1021/cm062693+	journal	April 2007
Polymer Nanocomposites: The “Nano” Effect on Mechanical Properties Crosby, Alfred J.; Lee, Jong‐Young Polymer Reviews, Vol. 47, Issue 2 https://doi.org/10.1080/15583720701271278	journal	April 2007
Current issues in research on structure–property relationships in polymer nanocomposites Jancar, J.; Douglas, J. F.; Starr, F. W. Polymer, Vol. 51, Issue 15 https://doi.org/10.1016/j.polymer.2010.04.074	journal	July 2010
Coarse-Grained Simulations of Macromolecules: From DNA to Nanocomposites de Pablo, Juan J. Annual Review of Physical Chemistry, Vol. 62, Issue 1 https://doi.org/10.1146/annurev-physchem-032210-103458	journal	May 2011
Optimum Graft Density for Dispersing Particles in Polymer Melts Hasegawa, Ryuichi; Aoki, Yuji; Doi, Masao Macromolecules, Vol. 29, Issue 20 https://doi.org/10.1021/ma960365x	journal	January 1996
Effective Interactions and Self-Assembly of Hybrid Polymer Grafted Nanoparticles in a Homopolymer Matrix Jayaraman, Arthi; Schweizer, Kenneth S. Macromolecules, Vol. 42, Issue 21 https://doi.org/10.1021/ma901631x	journal	November 2009
Dispersing Nanoparticles in a Polymer Matrix: Are Long, Dense Polymer Tethers Really Necessary? Smith, Grant D.; Bedrov, Dmitry Langmuir, Vol. 25, Issue 19 https://doi.org/10.1021/la902329v	journal	October 2009
The structure of chain end-grafted nanoparticle/homopolymer nanocomposites Green, Peter F. Soft Matter, Vol. 7, Issue 18 https://doi.org/10.1039/c1sm05076a	journal	January 2011
Structure of Polymer Tethered Highly Grafted Nanoparticles Goel, Vivek; Pietrasik, Joanna; Dong, Hongchen Macromolecules, Vol. 44, Issue 20 https://doi.org/10.1021/ma200621r	journal	October 2011
Structure and transport properties of polymer grafted nanoparticles Goyal, Sushmit; Escobedo, Fernando A. The Journal of Chemical Physics, Vol. 135, Issue 18 https://doi.org/10.1063/1.3657831	journal	November 2011
Influence of Hair Density and Hair Length on Interparticle Interactions of Spherical Polymer Brushes in a Homopolymer Matrix Yezek, Lee; Schärtl, Wolfgang; Chen, Yongming Macromolecules, Vol. 36, Issue 11 https://doi.org/10.1021/ma021179w	journal	June 2003
Dispersing hairy nanoparticles in polymer melts Wang, Xiaorong; Foltz, Victor J.; Rackaitis, Mindaugas Polymer, Vol. 49, Issue 26 https://doi.org/10.1016/j.polymer.2008.10.019	journal	December 2008
Dispersion of polymer-grafted magnetic nanoparticles in homopolymers and block copolymers Xu, Chen; Ohno, Kohji; Ladmiral, Vincent Polymer, Vol. 49, Issue 16 https://doi.org/10.1016/j.polymer.2008.05.040	journal	July 2008
A Phase Diagram for Polymer-Grafted Nanoparticles in Homopolymer Matrices Sunday, Daniel; Ilavsky, Jan; Green, David L. Macromolecules, Vol. 45, Issue 9 https://doi.org/10.1021/ma300438g	journal	April 2012
Dispersion of Polymer-Grafted Nanorods in Homopolymer Films: Theory and Experiment Frischknecht, Amalie L.; Hore, Michael J. A.; Ford, Jamie Macromolecules, Vol. 46, Issue 7 https://doi.org/10.1021/ma302461h	journal	March 2013
Phase Behavior of Grafted Polymer Nanocomposites from Field-Based Simulations Koski, Jason P.; Krook, Nadia M.; Ford, Jamie Macromolecules, Vol. 52, Issue 14 https://doi.org/10.1021/acs.macromol.9b00720	journal	July 2019
Mean-field theoretical analysis of brush-coated nanoparticle dispersion in polymer matrices Harton, Shane E.; Kumar, Sanat K. Journal of Polymer Science Part B: Polymer Physics, Vol. 46, Issue 4 https://doi.org/10.1002/polb.21346	journal	January 2008
Curvature effects upon interactions of polymer-grafted nanoparticles in chemically identical polymer matrices Trombly, David M.; Ganesan, Venkat The Journal of Chemical Physics, Vol. 133, Issue 15 https://doi.org/10.1063/1.3493330	journal	October 2010
End grafted polymernanoparticles in a polymeric matrix: Effect of coverage and curvature Kalb, Joshua; Dukes, Douglas; Kumar, Sanat K. Soft Matter, Vol. 7, Issue 4 https://doi.org/10.1039/C0SM00725K	journal	January 2011
Tethered Nanoparticle–Polymer Composites: Phase Stability and Curvature Srivastava, Samanvaya; Agarwal, Praveen; Archer, Lynden A. Langmuir, Vol. 28, Issue 15 https://doi.org/10.1021/la2049234	journal	April 2012
Chain flexibility for tuning effective interactions in blends of polymers and polymer-grafted nanoparticles Palli, Babji; Padmanabhan, Venkat Soft Matter, Vol. 10, Issue 35 https://doi.org/10.1039/C4SM00991F	journal	January 2014
Decreasing Polymer Flexibility Improves Wetting and Dispersion of Polymer-Grafted Particles in a Chemically Identical Polymer Matrix Lin, Brandon; Martin, Tyler B.; Jayaraman, Arthi ACS Macro Letters, Vol. 3, Issue 7 https://doi.org/10.1021/mz500274w	journal	June 2014
Effect of bidispersity in grafted chain length on grafted chain conformations and potential of mean force between polymer grafted nanoparticles in a homopolymer matrix Nair, Nitish; Wentzel, Nathaniel; Jayaraman, Arthi The Journal of Chemical Physics, Vol. 134, Issue 19 https://doi.org/10.1063/1.3590275	journal	May 2011
Bimodal Surface Ligand Engineering: The Key to Tunable Nanocomposites Li, Ying; Tao, Peng; Viswanath, Anand Langmuir, Vol. 29, Issue 4 https://doi.org/10.1021/la3036192	journal	November 2012
Grafting Bimodal Polymer Brushes on Nanoparticles Using Controlled Radical Polymerization Rungta, Atri; Natarajan, Bharath; Neely, Tony Macromolecules, Vol. 45, Issue 23 https://doi.org/10.1021/ma3018876	journal	November 2012
Polydisperse homopolymer grafts stabilize dispersions of nanoparticles in a chemically identical homopolymer matrix: an integrated theory and simulation study Martin, Tyler B.; Jayaraman, Arthi Soft Matter, Vol. 9, Issue 29 https://doi.org/10.1039/c3sm00144j	journal	January 2013
Identifying the Ideal Characteristics of the Grafted Polymer Chain Length Distribution for Maximizing Dispersion of Polymer Grafted Nanoparticles in a Polymer Matrix Martin, Tyler B.; Jayaraman, Arthi Macromolecules, Vol. 46, Issue 22 https://doi.org/10.1021/ma401763y	journal	November 2013
Polydispersity for Tuning the Potential of Mean Force between Polymer Grafted Nanoparticles in a Polymer Matrix Martin, Tyler B.; Dodd, Paul M.; Jayaraman, Arthi Physical Review Letters, Vol. 110, Issue 1 https://doi.org/10.1103/PhysRevLett.110.018301	journal	January 2013
Interactions between brush-grafted nanoparticles within chemically identical homopolymers: the effect of brush polydispersity Park, So Jung; Kim, Seyong; Yong, Daeseong Soft Matter, Vol. 14, Issue 6 https://doi.org/10.1039/C7SM02483E	journal	January 2018
Simulation of Interaction Forces between Nanoparticles: End-Grafted Polymer Modifiers Marla, Krishna Tej; Meredith, J. Carson Journal of Chemical Theory and Computation, Vol. 2, Issue 6 https://doi.org/10.1021/ct6001626	journal	August 2006
Stabilizing grafted colloids in a polymer melt: Favorable enthalpic interactions Borukhov, Itamar; Leibler, Ludwik Physical Review E, Vol. 62, Issue 1 https://doi.org/10.1103/PhysRevE.62.R41	journal	July 2000
Strategies for the Synthesis of Thermoplastic Polymer Nanocomposite Materials with High Inorganic Filling Fraction Ojha, Satyajeet; Dang, Alei; Hui, Chin Ming Langmuir, Vol. 29, Issue 28 https://doi.org/10.1021/la401522v	journal	July 2013
Phase stability and dynamics of entangled polymer–nanoparticle composites Mangal, Rahul; Srivastava, Samanvaya; Archer, Lynden A. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8198	journal	June 2015
Wetting–Dewetting and Dispersion–Aggregation Transitions Are Distinct for Polymer Grafted Nanoparticles in Chemically Dissimilar Polymer Matrix Martin, Tyler B.; Mongcopa, Katrina Irene S.; Ashkar, Rana Journal of the American Chemical Society, Vol. 137, Issue 33 https://doi.org/10.1021/jacs.5b05291	journal	August 2015
Tuning the wetting–dewetting and dispersion–aggregation transitions in polymer nanocomposites using composition of graft and matrix polymers Martin, Tyler B.; Jayaraman, Arthi Materials Research Express, Vol. 3, Issue 3 https://doi.org/10.1088/2053-1591/3/3/034001	journal	March 2016
Using Theory and Simulations To Calculate Effective Interactions in Polymer Nanocomposites with Polymer-Grafted Nanoparticles Martin, Tyler B.; Jayaraman, Arthi Macromolecules, Vol. 49, Issue 24 https://doi.org/10.1021/acs.macromol.6b01920	journal	December 2016
Thermally Reversible Aggregation of Gold Nanoparticles in Polymer Nanocomposites through Hydrogen Bonding Heo, Kyuyoung; Miesch, Caroline; Emrick, Todd Nano Letters, Vol. 13, Issue 11 https://doi.org/10.1021/nl402813q	journal	October 2013
Impact of Hydrogen Bonding Interactions on Graft–Matrix Wetting and Structure in Polymer Nanocomposites Kulshreshtha, Arjita; Modica, Kevin J.; Jayaraman, Arthi Macromolecules, Vol. 52, Issue 7 https://doi.org/10.1021/acs.macromol.8b02666	journal	March 2019
Soft Interactions Modify the Diffusive Dynamics of Polymer-Grafted Nanoparticles in Solutions of Free Polymer Poling-Skutvik, Ryan; Slim, Ali H.; Narayanan, Suresh ACS Macro Letters, Vol. 8, Issue 8 https://doi.org/10.1021/acsmacrolett.9b00294	journal	July 2019
VMD: Visual molecular dynamics Humphrey, William; Dalke, Andrew; Schulten, Klaus Journal of Molecular Graphics, Vol. 14, Issue 1 https://doi.org/10.1016/0263-7855(96)00018-5	journal	February 1996
Molecular dynamics simulation for polymers in the presence of a heat bath Grest, Gary S.; Kremer, Kurt Physical Review A, Vol. 33, Issue 5 https://doi.org/10.1103/PhysRevA.33.3628	journal	May 1986
On the Determination of Molecular Fields. II. From the Equation of State of a Gas Jones, J. E. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 106, Issue 738 https://doi.org/10.1098/rspa.1924.0082	journal	October 1924
Role of Repulsive Forces in Determining the Equilibrium Structure of Simple Liquids Weeks, John D.; Chandler, David; Andersen, Hans C. The Journal of Chemical Physics, Vol. 54, Issue 12 https://doi.org/10.1063/1.1674820	journal	June 1971
Modeling and Simulations of Polymers: A Roadmap Gartner, Thomas E.; Jayaraman, Arthi Macromolecules, Vol. 52, Issue 3 https://doi.org/10.1021/acs.macromol.8b01836	journal	January 2019
Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
A molecular dynamics method for simulations in the canonical ensemble Nosé, Shūichi Molecular Physics, Vol. 52, Issue 2 https://doi.org/10.1080/00268978400101201	journal	June 1984
Canonical dynamics: Equilibrium phase-space distributions Hoover, William G. Physical Review A, Vol. 31, Issue 3 https://doi.org/10.1103/PhysRevA.31.1695	journal	March 1985
Integral-equation theory of the structure of polymer melts Schweizer, Kenneth S.; Curro, John G. Physical Review Letters, Vol. 58, Issue 3 https://doi.org/10.1103/PhysRevLett.58.246	journal	January 1987
Theory of Phase Separation in Polymer Nanocomposites Hooper, Justin B.; Schweizer, Kenneth S. Macromolecules, Vol. 39, Issue 15 https://doi.org/10.1021/ma060577m	journal	July 2006
Structure, surface excess and effective interactions in polymer nanocomposite melts and concentrated solutions Hooper, J. B.; Schweizer, K. S.; Desai, T. G. The Journal of Chemical Physics, Vol. 121, Issue 14 https://doi.org/10.1063/1.1790831	journal	October 2004
Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular Liquids Chandler, David; Andersen, Hans C. The Journal of Chemical Physics, Vol. 57, Issue 5 https://doi.org/10.1063/1.1678513	journal	September 1972
pyPRISM: A Computational Tool for Liquid-State Theory Calculations of Macromolecular Materials Martin, Tyler B.; Gartner, Thomas E.; Jones, Ronald L. Macromolecules, Vol. 51, Issue 8 https://doi.org/10.1021/acs.macromol.8b00011	journal	April 2018
Origin of particle clustering in a simulated polymer nanocomposite and its impact on rheology Starr, Francis W.; Douglas, Jack F.; Glotzer, Sharon C. The Journal of Chemical Physics, Vol. 119, Issue 3 https://doi.org/10.1063/1.1580099	journal	July 2003

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