Self-consistent-field and hybrid particle-field theory simulation of confined copolymer and nanoparticle mixtures

ACS Nano

Volumn 5, Issue 1, 2011, Pages 123-128

  Pan, Qiangyong ^a   Tong, Chaohui ^a   Zhu, Yuejin ^a  

^a NINGBO UNIVERSITY   (China)

Author keywords

Confinement effects; Diblock copolymer; Hybrid particle field theory; Nanoparticle; Self assembly; Self consistent field theory

Indexed keywords

BLOCK RATIO; CONCENTRIC CIRCLES; CONFINEMENT EFFECTS; CONFORMATIONAL ENTROPY; DIBLOCK COPOLYMER; DIBLOCKS; ENTHALPIC INTERACTIONS; HYBRID PARTICLE-FIELD THEORY; NANO-DEVICES; PARTICLE VOLUME FRACTIONS; REPULSIVE INTERACTIONS; SELF CONSISTENT FIELD THEORY; SELF-ASSEMBLY BEHAVIORS; SELF-CONSISTENT FIELD; UNDERLYING MECHANISM;

BLOCK COPOLYMERS; COPOLYMERIZATION; ENTROPY; MEAN FIELD THEORY; MOLECULAR ORBITALS; NANOPARTICLES; PARTICLE INTERACTIONS; PHASE DIAGRAMS; SELF ASSEMBLY;

PLASTIC PRODUCTS;

EID: 79959950789     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn101886x     Document Type: Article

References (32)

1. Thompson, R. B.; Ginzburg, V. V.; Matsen, M. W.; Balazs, A. C. Predicting the Mesophases of Copolymer-Nanoparticle Composites. Science 2001, 292, 2469-2472. (Pubitemid 32601655)
2. Kim, B. J.; Fredrickson, G. H.; Hawker, C. J.; Kramer, E. J. Nanoparticle Surfactants as a Route to Bicontinuous Block Copolymer Morphologies. Langmuir 2007, 23, 7804-7809. (Pubitemid 47116449)
3. Birnkrant, M. J.; Li, C. Y.; Natarajan, L. V.; Tondiglia, V. P.; Sutherland, R. L.; Lloyd, P. F.; Bunning, T. J. Layer-in-Layer Hierarchical Nanostructures Fabricated by Combining Holographic Polymerization and Block Copolymer Self-Assembly. Nano Lett. 2007, 7, 3128-3133. (Pubitemid 350132941)
4. Chiu, J. J.; Kim, B. J.; Yi, G. R.; Bang, J.; Kramer, E. J.; Pine, D. J. Distribution of Nanoparticles in Lamellar Domains of Block Copolymers. Macromolecules 2007, 40, 3361-3365. (Pubitemid 46750639)
5. Matsen, M. W.; Thompson, R. B. Particle Distributions in a Block Copolymer Nanocomposite. Macromolecules 2008, 41, 1853-1860. (Pubitemid 351506215)
6. Vaia, R.; Baur, J. Materials Science: Adaptive Composites. Science 2008, 319, 420-421. (Pubitemid 351160568)
7. Zhang, L. S.; Lin, J. P. Hierarchically Ordered Nanocomposites Self-Assembled from Linear-Alternating Block Copolymer/Nanoparticle Mixture. Macromolecules 2009, 42, 1410-1414.
8. Bucknall, D. G.; Anderson, H. L. Polymers Get Organized. Science 2003, 302, 1904-1905. (Pubitemid 37523483)
9. Fredrickson, G. H.; Bates, F. S. Dynamics of Block Copolymers: Theory and Experiment. Annu. Rev. Mater. Sci. 1996, 26, 501-550. (Pubitemid 126638474)
10. Förster, S.; Plantenberg, T. From Self-Organizing Polymers to Nanohybrid and Biomaterials. Angew. Chem., Int. Ed. 2002, 41, 689-714. (Pubitemid 34218507)
11. Park, C.; Yoon, J.; Thomas, E. L. Erratum: Enabling Nanotechnology with Self Assembled Block Copolymer Patterns. Polymer 2003, 44, 6725-6760. (Pubitemid 37210458)
12. Chen, Z.; Kornfield, J. A.; Smith, S. D.; Grothaus, J. T.; Satkowski, M. M. Pathways to Macroscale Order in Nanostructured Block Copolymers. Science 1997, 277, 1248-1253. (Pubitemid 27449066)
13. Tong, C. H. The Finite Size Effect of Monomer Units on the Electrostatics of Polyelectrolyte Solutions. J. Chem. Phys. 2010, 132, 074904-1-074904-11.
14. Matsen, M. W. Electric Field Alignment in Thin Films of Cylinder-Forming Diblock Copolymer. Macromolecules 2006, 39, 5512-5520. (Pubitemid 44325132)
15. Thurn-Albrecht, T.; Schotter, J.; Kastle, G. A.; Emley, N.; Shibauchi, T.; Krusin-Elbaum, L.; Guarini, K.; Black, C. T.; Tuominen, M. T.; Russell, T. P. Ultrahigh-Density Nanowire Arrays Grown in Self-Assembled Diblock Copolymer Templates. Science 2000, 290, 2126-2129. (Pubitemid 32001589)
16. Warren, S. C.; Disalvo, F. J.; Wiesner, U. Erratum: Nanoparticle-Tuned Assembly and Disassembly of Mesostructured Silica Hybrid. Nat. Mater. 2007, 6, 156-161. (Pubitemid 46197651)
17. Stamm, M.; Sommer, J.-U. Polymer-Nanoparticle Films: Entropy and Enthalpy at Play. Nat. Mater. 2007, 6, 260-261. (Pubitemid 46516814)
18. Krishnan, R. S.; Mackay, M. E.; Duxbury, P. M.; Pastor, A.; Hawker, C. J.; Van Horn, B.; Asokan, S.; Wong, M. S. Self-Assembled Multilayers of Nanocomponents. Nano Lett. 2007, 7, 484-489. (Pubitemid 46383619)
19. Kang, Y.; Taton, T. A. Core/Shell Gold Nanoparticles by Self-Assembly and Crosslinking of Micellar, Block-Copolymer Shells. Angew. Chem., Int. Ed. 2005, 44, 409-412. (Pubitemid 40138345)
20. Kim, B.-S.; Taton, T. A. Multicomponent Nanoparticles via Self-Assembly with Cross-Linked Block Copolymer Surfactants. Langmuir 2007, 23, 2198-2202. (Pubitemid 46406182)
21. Ren, C.-L.; Ma, Y.-Q. Phase Behavior in Thin Films of Confined Colloid-Polymer Mixtures. J. Am. Chem. Soc. 2006, 128, 2733-2737. (Pubitemid 43328888)
22. Zhou, L.; Ma, Y.-Q. Phase Behavior of Nanoparticle-Copolymer Films Confined Between Polymer-Grafted Surfaces. J. Phys.: Condens. Matter 2008, 20, 095006-1-095006-5.
23. Ma, M. L.; Thomas, E. L.; Rutledge, G. C.; Yu, B.; Li, B. H.; Jin, Q. H.; Ding, D. T. Gyroid-Forming Diblock Copolymers Confined in Cylindrical Geometry: A case of Extreme Makeover for Domain Morphology. Macromolecules 2010, 43, 3061-3071.
24. Lee, J. Y.; Shou, Z. Y.; Balazs, A. C. Predicting the Morphologies of Confined Copolymer/Nanoparticle Mixtures. Macromolecules 2003, 36, 7730-7739.
25. Lee, J. Y.; Shou, Z. Y.; Balazs, A. C. Modeling the Self-Assembly of Copolymer-Nanoparticle Mixtures Confined between Solid Surfaces. Phys. Rev. Lett. 2003, 91, 1361031-1361034.
26. Yang, Q. H.; Li, M.; Tong, C. H.; Zhu, Y. J. Phase Behaviors of Diblock Copolymer-Nanoparticle Films under Nanopore Confinement. J. Chem. Phys. 2009, 130, 094903-1-094903-7
27. Sides, S. W.; Kim, B. J.; Kramer, E. J.; Fredrickson, G. H. Hybrid Particle-Field Simulations of Polymer Nanocomposites. Phys. Rev. Lett. 2006, 96, 250601-1-250601-4.
28. Car, R.; Parrinello, M. Unified Approach for Molecular Dynamics and Density-Functional Theory. Phys. Rev. Lett. 1985, 55, 2471-2474.
29. Thompson, R. B.; Ginzburg, V. V.; Matsen, M. W.; Balazs, A. C. Block Copolymer-Directed Assembly of Nanoparticles: Forming Mesoscopically Ordered Hybrid Materials. Macromolecules 2002, 35, 1060-1071. (Pubitemid 34140614)
30. Huh, J.; Ginzburg, V. V.; Balazs, A. C. Thermodynamic Behavior of Particle/Diblock Copolymer Mixtures: Simulation and Theory. Macromolecules 2000, 33, 8085-8096.
31. Li, W.; Wickham, R. A.; Garbary, R. A. Phase Diagram for a Diblock Copolymer Melt under Cylindrical Confinement. Macromolecules 2006, 39, 806-811. (Pubitemid 43168252)
32. Tang, Q. Y.; Ma, Y. Q. Self-Assembly of Rod-Shaped Particles in Diblock-Copolymer Templates. J. Phys. Chem. B 2009, 113, 10117-10121.