TY - JOUR
T1 - Grafted nanoparticles as soft patchy colloids
T2 - Self-assembly versus phase separation
AU - Mahynski, Nathan A.
AU - Panagiotopoulos, Athanassios Z.
N1 - Publisher Copyright:
© 2015 AIP Publishing LLC.
PY - 2015/2/21
Y1 - 2015/2/21
N2 - We investigate the thermodynamic behavior of a model polymer-grafted nanoparticle (GNP) system on a fine lattice, using grand canonical Monte Carlo simulations, to compare and contrast the validity of two different models for GNPs: "nanoparticle amphiphiles" versus "patchy particles." In the former model, continuous self-assembly processes are expected to dominate the system, whereas the latter are characterized by first-order phase separation into novel equilibrium phases such as "empty liquids." We find that, in general, considering GNPs as amphiphiles within the framework of a recent mean-field theory [Pryamtisyn et al., J. Chem. Phys. 131, 221102 (2009)] provides a qualitatively accurate description of the thermodynamics of GNP systems, revealing either first-order phase separation into two isotropic phases or continuous self-assembly. Our model GNPs display no signs of empty liquid formation, suggesting that these nanoparticles do not provide a route to such phases.
AB - We investigate the thermodynamic behavior of a model polymer-grafted nanoparticle (GNP) system on a fine lattice, using grand canonical Monte Carlo simulations, to compare and contrast the validity of two different models for GNPs: "nanoparticle amphiphiles" versus "patchy particles." In the former model, continuous self-assembly processes are expected to dominate the system, whereas the latter are characterized by first-order phase separation into novel equilibrium phases such as "empty liquids." We find that, in general, considering GNPs as amphiphiles within the framework of a recent mean-field theory [Pryamtisyn et al., J. Chem. Phys. 131, 221102 (2009)] provides a qualitatively accurate description of the thermodynamics of GNP systems, revealing either first-order phase separation into two isotropic phases or continuous self-assembly. Our model GNPs display no signs of empty liquid formation, suggesting that these nanoparticles do not provide a route to such phases.
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U2 - 10.1063/1.4908044
DO - 10.1063/1.4908044
M3 - Article
C2 - 25702025
AN - SCOPUS:84923397251
SN - 0021-9606
VL - 142
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 7
M1 - 074901
ER -