A simple model for solute–solvent separation through nanopores based on core-softened potentials

Vasconcelos, Cláudia Karina Barbosa de; Batista, Ronaldo J. C.; Régis, McGlennon da Rocha; Manhabosco, Taíse Matte; Oliveira, Alan Barros de

doi:10.1016/j.physa.2016.02.035

Cited by 2 publications

(1 citation statement)

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“…Partly-quenched systems involving the soft-core annealed fluid were as well studied by one of us [34, 44, 45]. Effects of confinement on the properties of core-softened model of water were investigated for nanotubes [46–48], plates [49–54], and nanopores [55–57]. …”

Section: Introductionmentioning

confidence: 99%

Phase behaviour of a continuous shouldered well model fluid. A grand canonical Monte Carlo study

Lukšič

Hribar-Lee

Pizio

2017

Journal of Molecular Liquids

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The phase behavior of the continuous shouldered well model fluid proposed by Franzese [J. Mol. Liq. 136 (2007) 267] was examined using the Monte Carlo computer simulations in the grand canonical ensemble. The essential parts of the vapour-liquid and liquid-liquid coexistence envelopes were obtained. The Widom lines departing from coexistence envelopes were calculated using maxima of the fluctuations of the number of particles as a function of chemical potential along various isotherms. The region embracing anomalies in the properties of the model was located using the approximate criterion that involves the excess pair entropy.. The temperature of maximum density line was built by performing canonical Monte Carlo simulations. Our results are consistent with previous results from molecular dynamics constant pressure-constant temperature simulations and provide wider insight into the phase behavior of the model by using the chemical potential as the external parameter.

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