Nanospheres in phase-separating multicomponent fluids: A three-dimensional dissipative particle dynamics simulation
- 1 December 2004
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 121 (21), 10641-10647
- https://doi.org/10.1063/1.1806815
Abstract
The dynamics of phase separation of three-dimensional fluids containing nanospheres, which interact preferentially with one of the two fluids, is studied by means of large-scale dissipative particle dynamics simulations. We systematically investigated the effect of volume fraction, radius, and mass of the nanoparticles on both kinetics and morphology of the binary mixture. We found that nanospheres lead to a reduction of domain growth which is intensified as their volume fraction is increased for a given radius of nanoparticles, or as the nanoparticles radius is decreased for a given volume fraction. Up to moderate volume fractions of nanoparticles, the growth law, however, is found to be identical to that pure binary fluids, i.e., with For relatively high volume fractions of nanoparticles, a diffusive growth regime was detected. The crossover to the slower growth regime as the nanoparticles volume fraction is increased or their radius is decreased is associated with the crystallization of the nanospheres within the preferred component. These results are qualitatively in good agreement with previous two-dimensional simulations using molecular dynamics [M. Laradji and G. MacNevin, J. Chem. Phys. 119, 2275 (2003)] and a time-dependent Ginzburg-Landau model [M. Laradji, J. Chem. Phys. 120, 9330 (2004)], as well as recent experiments.
Keywords
This publication has 24 references indexed in Scilit:
- A Langevin dynamics study of mobile filler particles in phase-separating binary systemsThe Journal of Chemical Physics, 2004
- Influence of Layered Silicates on the Phase-Separated Morphology of PS−PVME BlendsMacromolecules, 2003
- Large-scale simulations of phase separation of elastically coherent binary alloy systemsPhysical Review B, 1999
- Three-dimensional simulations of Ostwald ripening with elastic effectsPhysical Review E, 1998
- Dissipative particle dynamics with energy conservationEurophysics Letters, 1997
- Phase Inversion during Viscoelastic Phase Separation: Roles of Bulk and Shear Relaxation ModuliPhysical Review Letters, 1997
- Network Domain Structure in Viscoelastic Phase SeparationPhysical Review Letters, 1996
- Universality of Viscoelastic Phase Separation in Dynamically Asymmetric Fluid MixturesPhysical Review Letters, 1996
- Solvent-Induced Phase Separation in Colloidal FluidsPhysical Review Letters, 1995
- Dynamics of entangled linear polymer melts: A molecular-dynamics simulationThe Journal of Chemical Physics, 1990