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Issue 28, 2015
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Solid–liquid critical behavior of a cylindrically confined Lennard-Jones fluid

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Abstract

Extensive molecular dynamics simulations have been performed to study the phase behavior of Lennard-Jones particles confined in a quasi-one-dimensional hydrophobic nanopore. We provide unambiguous evidence for a solid–liquid critical point by investigating (i) isotherms in the pressure–volume plane, (ii) the spontaneous solid–liquid phase separation below a certain temperature, (iii) diverging heat capacity and isothermal compressibility as a certain point is approached, (iv) continuous change of dynamical and structural properties above the point, (v) the finite-size scaling analysis of the density distribution below and above the point. The result combined with earlier studies of confined water suggests that the solid–liquid critical point is not uncommon in quasi-one- and quasi-two-dimensional fluids.

Graphical abstract: Solid–liquid critical behavior of a cylindrically confined Lennard-Jones fluid

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Publication details

The article was received on 03 May 2015, accepted on 09 Jun 2015 and first published on 24 Jun 2015


Article type: Paper
DOI: 10.1039/C5CP02568K
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Phys. Chem. Chem. Phys., 2015,17, 18437-18442

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    Solid–liquid critical behavior of a cylindrically confined Lennard-Jones fluid

    K. Mochizuki and K. Koga, Phys. Chem. Chem. Phys., 2015, 17, 18437
    DOI: 10.1039/C5CP02568K

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