Abstract
A simulation study was carried out by using dissipative particle dynamics (DPD) method to explore the effects of properties of coating chains, such as length, density, rigidity of polymer chains, as well as the distance between nanoparticles on bonding reaction of coating chains grafted onto nanoparticles. The results show that bonding ratios of coated chains strongly depend on the length and density of coating chains. For nanoparticles with different coating densities, the optimum chain length for bonding reaction are varied. The rigidity of coating chains exhibits vigorous effects on bonding reaction that highly depends on chain lengths. DPD simulation can be used to study the bonding reaction between coated nanoparticles, which may help experimental synthesis of nanocomposites with excellent properties.
Similar content being viewed by others
References
Walters G, Parkin I P. The Incorporation of Noble Metal Nanoparticles into Host Matrix Thin Films: Synthesis, Characterisation and Applications[J]. Journal of Materials Chemistry, 2009, 19: 574–590
Wang L, Xu L, Kuang H, et al. Dynamic Nanoparticle Assemblies[J]. Accounts of Chemical Research, 2012, 45: 1 916–1 926
Vasquez Y, Kolle M, Mishchenko L, et al. Three–Phase Co–assembly: In Situ Incorporation of Nanoparticles into Tunable, Highly Ordered, Porous Silica Films[J]. Acs Photonics. 2013, 1: 53–60
Poyraz S, Liu Z, Liu Y, et al. One–step Synthesis and Characterization of Poly(o–toluidine) Nanofiber/Metal Nanoparticle Composite Networks as Non–enzymatic Glucose Sensors[J]. Sensors & Actuators B Chemical, 2014, 201(5): 65–74
Devries G A, Brunnbauer M, Hu Y, et al. Divalent Metal Nanoparticles[J]. Science, 2007, 315(5810): 358–61
Hussain I, Brust M, Barauskas J, et al. Controlled Step Growth of Molecularly Linked Gold Nanoparticles: From Metallic Monomers to Dimers to Polymeric Nanoparticle Chains[J]. Langmuir the Acs Journal of Surfaces & Colloids, 2009, 25(4): 1 934–1 939
Petrus P, Lísal M, Brennan J K. Self–Assembly of Lamellar–and Cylinder–Forming Diblock Copolymers in Planar Slits: Insight from Dissipative Particle Dynamics Simulations[J]. Langmuir the Acs Journal of Surfaces & Colloids, 2010, 26: 14 680–14 693
Litschauer M, Peterlik H, Neouze M A. Nanoparticles/Ionic Linkers of Different Lengths: Short–Range Order Evidenced by Small–Angle X–ray Scattering[J]. J. Phys. Chem. C, 2009, 113: 6 547–6 552
Terrón–Mejía K A, López–Rendón R, Goicochea A G. A New Effective Potential for Colloidal Dispersions with Polymer Chains Emerging from Mesoscopic Scale Interactions. in High Performance Computer Applications[M]. Milan: Springer International Publishing, 2015
Groot R D, Madden T J. Dynamic Simulation of Diblock Copolymer Microphase Separation[J]. Journal of Chemical Physics, 1998, 108: 8 713–8 724
Groot R D. Applications of Dissipative Particle Dynamics[J]. Lecture Notes in Physics, 2004, 640: 2 272–2 272
Cheng J, Vishnyakov A, Neimark A V. Morphological Transformations in Polymer Brushes in Binary Mixtures: DPD Study.[J]. Langmuir the Acs Journal of Surfaces & Colloids, 2014, 30: 12 932–12 940
Farah K, Karimi–Varzaneh H A, Müller–Plathe F, et al. Reactive Molecular Dynamics with Material–specific Coarse–grained Potentials: Growth of Polystyrene Chains from Styrene Monomers[J]. Journal of Physical Chemistry B, 2010, 114: 13 656–13 666
Farah K, Müller–Plathe F, Böhm M C. Classical Reactive Molecular Dynamics Implementations: State of the Art[J]. Chemphyschem, 2012, 13:1 127–1 151
Plimpton S. Fast Parallel Algorithms for Short–Range Molecular Dynamics[J]. Journal of Computational Physics, 2000, 117(1): 1–19
Cini M, Fucito F, Sbragaglia M. Grand Canonical Ensemble. Solved Problems in Quantum and Statistical Mechanics[M]. Milan: Springer, 2012
Behling R E, Williams B A, Staade B L, et al. Influence of Graft Density on Kinetics of Surface–Initiated ATRP of Polystyrene from Montmorillonite[J]. Macromolecules, 2009, 42: 1 867–1 872
Litschauer M, Peterlik H, Neouze M A. Nanoparticles/Ionic Linkers of Different Lengths: Short–Range Order Evidenced by Small–Angle X–ray Scattering[J]. J. Phys. Chem. C, 2009, 113: 6 547–6 552
Dell’Erba I E, Hoppe C E, Williams R J J. Synthesis of Silver Nanoparticles Coated with OH–Functionalized Organic Groups: Dispersion and Covalent Bonding in Epoxy Networks[J]. Langmuir, 2009, 26: 2 042–2 049
Author information
Authors and Affiliations
Corresponding author
Additional information
Funded by the National Natural Science Foundation of China (Nos.20974001, 21174001, 51273001, and 51403001)
Rights and permissions
About this article
Cite this article
Tang, W., Chen, P., Feng, X. et al. Dissipative Particle Dynamics Simulation on Bonding Reaction Between Surface Modified Nanoparticles. J. Wuhan Univ. Technol.-Mat. Sci. Edit. 34, 91–97 (2019). https://doi.org/10.1007/s11595-019-2020-3
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11595-019-2020-3