Self-Assembly and Water-like Anomalies in Janus Nanoparticles

Langmuir : the ACS Journal of Surfaces and Colloids
José Rafael BordinMarcia C Barbosa

Abstract

We explore the pressure versus temperature phase diagram of a system of dimeric Janus nanoparticles using molecular dynamics simulations. Each nanoparticle is modeled as a dumbbell which has one monomer that interacts by a standard Lennard-Jones potential while the other monomer interacts by a core-softened potential. The systems composed by particles interacting only by core-softened potential exhibit the density and the diffusion anomalous behavior observed in water while if the particles interact only by the Lennard-Jones potential no anomaly is present. Here we explore if the anomalous behavior is present when half of the particles are modeled by a core-softened potential and half with Lennard-Jones potential. We show that the diffusion anomaly is preserve, while the density anomaly can disappear depending on the nonanomalous monomer characteristics. We also show that the self-assembly structures characteristics of the dumbbell systems are affected by the balance between core-softened and non-core-softened monomers.

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Citations

Mar 17, 2016·Physical Chemistry Chemical Physics : PCCP·Gianmarco Munaó, Franz Saija
Aug 20, 2016·Physical Chemistry Chemical Physics : PCCP·Gianmarco MunaòCarlo Caccamo
Oct 21, 2016·Physical Chemistry Chemical Physics : PCCP·José Rafael Bordin, Leandro B Krott
Nov 5, 2016·Langmuir : the ACS Journal of Surfaces and Colloids·Andrea TagliabueMassimo Mella
Jan 6, 2017·Langmuir : the ACS Journal of Surfaces and Colloids·Yusei Kobayashi, Noriyoshi Arai
Mar 3, 2017·The Journal of Chemical Physics·Santi PrestipinoCarlo Caccamo
Apr 5, 2017·The Journal of Physical Chemistry. B·José Rafael Bordin, Leandro B Krott
Jan 5, 2017·The Journal of Chemical Physics·Leandro B KrottJosé Rafael Bordin
Oct 5, 2021·Physical Chemistry Chemical Physics : PCCP·Gianmarco MunaòDino Costa

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