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

Kenji Mochizuki, Kenichiro Koga

Research output: Contribution to journalArticle

1 Citation (Scopus)

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.

Original languageEnglish
Pages (from-to)18437-18442
Number of pages6
JournalPhysical Chemistry Chemical Physics
Volume17
Issue number28
DOIs
Publication statusPublished - Jul 28 2015

Fingerprint

Fluids
fluids
critical point
Liquids
liquids
Nanopores
Phase behavior
Compressibility
Phase separation
compressibility
Specific heat
Isotherms
density distribution
Molecular dynamics
Structural properties
isotherms
liquid phases
specific heat
molecular dynamics
scaling

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Physics and Astronomy(all)

Cite this

Solid-liquid critical behavior of a cylindrically confined Lennard-Jones fluid. / Mochizuki, Kenji; Koga, Kenichiro.

In: Physical Chemistry Chemical Physics, Vol. 17, No. 28, 28.07.2015, p. 18437-18442.

Research output: Contribution to journalArticle

@article{9e1cc083a8d243e9bb98a07aadffac50,
title = "Solid-liquid critical behavior of a cylindrically confined Lennard-Jones fluid",
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.",
author = "Kenji Mochizuki and Kenichiro Koga",
year = "2015",
month = "7",
day = "28",
doi = "10.1039/c5cp02568k",
language = "English",
volume = "17",
pages = "18437--18442",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "28",

}

TY - JOUR

T1 - Solid-liquid critical behavior of a cylindrically confined Lennard-Jones fluid

AU - Mochizuki, Kenji

AU - Koga, Kenichiro

PY - 2015/7/28

Y1 - 2015/7/28

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=84936970788&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84936970788&partnerID=8YFLogxK

U2 - 10.1039/c5cp02568k

DO - 10.1039/c5cp02568k

M3 - Article

AN - SCOPUS:84936970788

VL - 17

SP - 18437

EP - 18442

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 28

ER -