Conformation of polydispersed chains grafted on nanoparticles

Molecular Simulation

Volumn 41, Issue 4, 2015, Pages 298-310

  Xue, Yao Hong ^a   Quan, Wei ^a   Qu, Fu Heng ^a   Liu, Hong ^b  

^a CHANGCHUN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b JILIN UNIVERSITY   (China)

Author keywords

graft; nanoparticle; polydisperse

Indexed keywords

DISPERSIONS; GRAFTS; MOLECULAR DYNAMICS; NANOCOMPOSITES; NANOPARTICLES; POLYDISPERSITY;

COARSE-GRAINED MOLECULAR DYNAMICS SIMULATIONS; EXCLUDED-VOLUME INTERACTIONS; GRAFTING DENSITIES; IMPROVED DESIGNS; NANOPARTICLE (NPS); POLYDISPERSES; POLYMER MATRICES; POLYMER NANOCOMPOSITE;

GRAFTING (CHEMICAL);

EID: 84921068220     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2013.879129     Document Type: Article

References (41)

1. Huynh WU, Dittmer JJ, Alivisatos AP. Hybrid nanorod-polymer solar cells. Science. 2002;295:2425-2427.
2. Ferrari M. Cancer nanotechnology: opportunities and challenges. Nat Rev Cancer. 2005;5:161-171.
3. Peer D, Karp JM, Hong S, Farokhzad OC, Margalit R, Langer R. Nanocarriers as an emerging platform for cancer therapy. Nat Nanotechnol. 2007;2:751-760.
4. Kim J, Van der BB. The use of nanoparticles in polymeric and ceramic membrane structures: review of manufacturing procedures and performance improvement for water treatment. Environ Pollut. 2012;158:2335-2349.
5. Lan Q, Francis LF, Bates FS. Silica nanoparticle dispersions in homopolymer versus block copolymer. J Polym Sci B: Polym Phys. 2007;45:2284-2299.
6. Tsubokawa N. Surface grafting of polymers onto nanoparticles in a solvent-free dry-system and applications of polymer-grafted nanoparticles as novel functional hybrid materials. Polym J. 2007;39:983-1000.
7. Goel V, Chatterjee T, Bombalski L, Yurekli K, Matyjaszewski K, Krishnamoorti R. Viscoelastic properties of silica-grafted poly (styrene Cacrylonitrile) nanocomposites. J Polym Sci B: Polym Phys. 2006;44:2014-2023.
8. Zhao B, Zhu L. Nanoscale phase separation in mixed poly(tert-butyl acrylate)/polystyrene brushes on silica nanoparticles under equilibrium melt conditions. J Am Chem Soc. 2006;128:4574-4575.
9. Li D, Sheng X, Zhao B. Environmentally responsive "hairy" nanoparticles: mixed homopolymer brushes on silica nanoparticles synthesized by living radical polymerization techniques. J Am Chem Soc. 2005;127:6248-6256.
10. von Werne T, Patten TE. Preparation of structurally well-defined polymer nanoparticle hybrids with controlled/living radical polymerizations. J Am Chem Soc. 1999;121:7409-7410.
11. von Werne T, Patten TE. Atom transfer radical polymerization from nanoparticles: a tool for the preparation of well-defined hybrid nanostructures and for understanding the chemistry of controlled/"living" radical polymerizations from surfaces. J Am Chem Soc. 2001;123:7497-7505.
12. Pyun J, Matyjaszewski K, Kowalewski T, Savin D, Patterson G, Kickelbick G, Huesing N. Synthesis of well-defined block copolymers tethered to polysilsesquioxane nanoparticles and their nanoscale morphology on surfaces. J Am Chem Soc. 2001;123:9445-9446.
13. Chen X, Armes SP. Surface polymerization of hydrophilic methacrylates from ultrafine silica sols in protic media at ambient temperature: a novel approach to surface functionalization using a polyelectrolytic macroinitiator. Adv Mater. 2003;15:1558-1562.
14. Akcora P, Liu H, Kumar SK, Moll J, Li Y, Benicewicz BC, Schadler LS, Acehan D, Panagiotopoulos AZ, Pryamitsyn V, Ganesan V, Ilavsky J, Thiyagarajan P, Colby RH, Douglas JF. Anisotropic selfassembly of spherical polymer-grafted nanoparticles. Nat Mater. 2009;8:354-359.
15. Pyun J, Jia S, Kowalewski T, Patterson GD, Matyjaszewski K. Synthesis and characterization of organic/inorganic hybrid nanoparticles: kinetics of surface-initiated atom transfer radical polymerization and morphology of hybridnanoparticle ultrathin films. Macromolecules. 2003;36:5094-5104.
16. Perruchot C, Khan MA, Kamitsi A, Armes SP, von Werne T, Patten TE. Synthesis of well-defined polymer-grafted silica particles by aqueous ATRP. Langmuir. 2001;17:4479-4481.
17. Bansal A, Yang H, Li C, Benicewicz BC, Kumar SK, Schadler LS. Controlling the thermomechanical properties of polymer nanocomposites by tailoring the polymer-particle interface. J Polym Sci B: Polym Phys. 2006;44:2944-2950.
18. Bansal A, Yang H, Li C, Cho K, Benicewicz BC, Kumar SK, Schadler LS. Quantitative equivalence between polymer nanocomposites and thin polymer films. Nat Mater. 2005;4:693-698.
19. Harton SE, Kumar SK. Mean-field theoretical analysis of brushcoated nanoparticle dispersion in polymer matrices. J Polym Sci B: Polym Phys. 2008;46:351-358.
20. Causin V, Yang BX, Marega C, Goh SH, Marigo A. Structure-property relationship in polyethylene reinforced by polyethylenegrafted multi-walled carbon nanotubes. J Nanosci Nanotechnol. 2008;8:1790-1796.
21. Oyerokun FT, Vaia RA. Distribution in the grafting density of endfunctionalized polymer chains adsorbed onto nanoparticle surfaces. Macromolecules. 2012;45:7649-7659.
22. Lo Verso F, Egorov SA, Milchev A, Binder K. Spherical polymer brushes under good solvent conditions: molecular dynamics results compared to density functional theory. J Chem Phys. 2010;133:184901.
23. Binder K, Milchev A. Polymer brushes on flat and curved surfaces: how computer simulations can help to test theories and to interpret experiments. J Polym Sci B: Polym Phys. 2012;50:1515-1555.
24. Verso FL, Yelash L, Egorov SA, Binder K. Effect of the solvent quality on the structural rearrangement of spherical brushes: coarsegrained models. Soft Matter. 2012;8:4185-4196.
25. LoVerso F, Yelash L, Egorov SA, Binder K. Interactions between polymer brush-coated spherical nanoparticles: the good solvent case. J Chem Phys. 2011;135:214902.
26. LoVerso F, Egorov SA, Binder K. Interaction between polymer brush-coated spherical nanoparticles: effect of solvent quality. Macromolecules. 2012;45:8892-8902.
27. Chai AH, Zhang D, Chen HP, Wen XH, He LL, Zhang LX. Collapse-expansion transition of elastic shell induced by grafted polymer chains. J Polym Sci B: Polym Phys. 2012;50:1480-1488.
28. Dodd PM, Jayaraman A. Monte carlo simulations of polydisperse polymers grafted on spherical surfaces. J Polym Sci B: Polym Phys. 2012;50:694-705.
29. Liu H, Li M, Lu ZY, Zhang ZG, Sun CC. Influence of surfaceinitiated polymerization rate and initiator density on the properties of polymer brushes. Macromolecules. 2009;42:2863-2872.
30. Weeks JD, Chandler D, Andersen HC. Role of repulsive forces in determining the equilibrium structure of simple liquids. J Chem Phys. 1971;54:5237-5247.
31. Kremer K, Grest GS. Dynamics of entangled linear polymer melts: a molecular-dynamics simulation. J Chem Phys. 1990;92:5057-5086.
32. Pastorino C, Binder K, Kreer T, Mü ller M. Static and dynamic properties of the interface between a polymer brush and a melt of identical chains. J Chem Phys. 2006;124:064902.
33. Groot RD, Warren PB. Dissipative particle dynamics: bridging the gap between atomistic and mesoscopic simulation. J Chem Phys. 1997;107:4423-4435.
34. Espańol P, Warren P. Statistical mechanics of dissipative particle dynamics. Europhys Lett. 1995;30:191-196.
35. Soddemann T, Dünweg B, Kremer K. Dissipative particle dynamics: a useful thermostat for equilibrium and nonequilibrium molecular dynamics simulations. Phys Rev E. 2003;68:046702.
36. Maillard D, Kumar SK, Rungta A, Benicewicz BC, Prudhomme RE. Polymer-grafted-nanoparticle surfactants. Nano Lett. 2011;11:4569-4573.
37. Marcus Y. The properties of solvents. Chichester: Wiley; 1999. p. 239.
38. NcNaught AD, Wilkinson A. Compendium of chemical terminology, (the "Gold Book"). 2nd ed. Oxford: Blackwell Scientific Publications; 1997.
39. Zimm BH. Apparatus and methods for measurement and interpretation of the angular variation of light scattering; preliminary results on polystyrene solutions. J Chem Phys. 1948;16:1099-1116.
40. Zhang ZQ, Yang XZ. Influence of interpenetration degree on initial stage of polymer chain crystallization. Chem J Chnese U. 2006;27:701-703.
41. Liang TN, Zhang ZQ, Li T, Yang XZ. Interpenetration of two polymer chain globules. Polymer. 2004;45:1365-1371.