An accurate thermodynamically self-consistent integral equation theory of the liquid state is used to investigate model fluids with competing attractive interaction at short distances and long-range repulsion, focusing on thermodynamic states where the formation of clusters is expected to occur. We find a remarkable accuracy of theoretical predictions, through a detailed assessment against results of Monte Carlo simulations. The behavior of theoretical radial distribution functions and structure factors faithfully follows the onset and growth of cluster aggregates in the homogeneous dense-vapor phase. The thermodynamic properties of the system sensitively depend on the ratio between the repulsive barrier and the attraction strength. We elucidate the role of accurate theoretical tools to investigate the properties of fluids with complex phase behaviors.

Temperature study of cluster formation in two-Yukawa fluids

COSTA, Dino
2010

Abstract

An accurate thermodynamically self-consistent integral equation theory of the liquid state is used to investigate model fluids with competing attractive interaction at short distances and long-range repulsion, focusing on thermodynamic states where the formation of clusters is expected to occur. We find a remarkable accuracy of theoretical predictions, through a detailed assessment against results of Monte Carlo simulations. The behavior of theoretical radial distribution functions and structure factors faithfully follows the onset and growth of cluster aggregates in the homogeneous dense-vapor phase. The thermodynamic properties of the system sensitively depend on the ratio between the repulsive barrier and the attraction strength. We elucidate the role of accurate theoretical tools to investigate the properties of fluids with complex phase behaviors.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11570/1914989
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