Solid-liquid critical behavior of a cylindrically confined Lennard-Jones fluid
Kenji Mochizuki1, Kenichiro Koga
1Department of Chemistry, Faculty of Science, Okayama University, Okayama 700-8530, Japan. mochizuki@okayama-u.ac.jp koga@okayama-u.ac.jp.
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.
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