We report accurate calculations of the particle density of states in the dipolar hard-sphere fluid. Implementing efficient and tailored Monte Carlo algorithms, we are able to explore, in equilibrium, the low temperature region where a phase separation between a dilute gas of chain ends and a high-density liquid of chain junctions has been predicted to occur. Our data clearly show that the density of states remains always single peaked, definitively excluding the possibility of critical phenomena in the investigated temperature and density region. The analysis of the low temperature configurations shows that at low densities particles preferentially self-assemble into closed rings, strongly suppressing the chain ends concentration.

No Evidence of Gas-Liquid Coexistence in Dipolar Hard Spheres

Francesco Sciortino
2011

Abstract

We report accurate calculations of the particle density of states in the dipolar hard-sphere fluid. Implementing efficient and tailored Monte Carlo algorithms, we are able to explore, in equilibrium, the low temperature region where a phase separation between a dilute gas of chain ends and a high-density liquid of chain junctions has been predicted to occur. Our data clearly show that the density of states remains always single peaked, definitively excluding the possibility of critical phenomena in the investigated temperature and density region. The analysis of the low temperature configurations shows that at low densities particles preferentially self-assemble into closed rings, strongly suppressing the chain ends concentration.
2011
Istituto dei Sistemi Complessi - ISC
MONTE-CARLO
THERMODYNAMIC PROPERTIES
VAPOR COEXISTENCE
PHASE
FLUIDS
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/12053
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