We investigate the phase behaviour of charged soft dumbbells, particles composed of two soft but oppositely charged sites, as a function of the separation between the sites. Through successive umbrella sampling Monte Carlo simulations, we evaluate the equilibrium particle density of states. For elongated dumbbells, we recover the expected critical behaviour. However, reducing the elongation we are unable to locate the gas-liquid critical point in the accessible region of temperature and density. Correspondingly, the self-assembly of the particles in ring structures becomes dominant with respect to the formation of chain-like structures. Our results enrich the debate on the competition between self-assembly and phase separation and contribute to the long-standing dilemma about the putative gas-liquid criticality in dipolar fluids.

On the gas-liquid phase separation and the self-assembly of charged soft dumbbells

2013

Abstract

We investigate the phase behaviour of charged soft dumbbells, particles composed of two soft but oppositely charged sites, as a function of the separation between the sites. Through successive umbrella sampling Monte Carlo simulations, we evaluate the equilibrium particle density of states. For elongated dumbbells, we recover the expected critical behaviour. However, reducing the elongation we are unable to locate the gas-liquid critical point in the accessible region of temperature and density. Correspondingly, the self-assembly of the particles in ring structures becomes dominant with respect to the formation of chain-like structures. Our results enrich the debate on the competition between self-assembly and phase separation and contribute to the long-standing dilemma about the putative gas-liquid criticality in dipolar fluids.
2013
Istituto dei Sistemi Complessi - ISC
Inglese
111
22-23
3608
3617
11
http://www.tandfonline.com/doi/abs/10.1080/00268976.2013.838315
Sì, ma tipo non specificato
soft matter
charged dumbbells
gas-liquid separation
self-assembly
Monte Carlo simulation
Special Issue: Special Issue in Honour of Giovanni Ciccotti on the Occasion of his 70th Birthday. Invited article. Published online: 25 Sep 2013.
3
info:eu-repo/semantics/article
262
Simone Dussi ab, ; Rovigatti, Lorenzo; Francesco Sciortino ac,
01 Contributo su Rivista::01.01 Articolo in rivista
none
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/254167
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